[1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]imidazol-2-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone; methanesulfonate

Systemtic Name: [1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]imidazol-2-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone; methanesulfonate Openeye Name: [1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenylquinuclidin-1-ium-1-yl)butyl]imidazol-2-yl]-tetralin-5-yl-methanone; methanesulfonate CAS Name: [1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-2-imidazolyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone; methanesulfonate IUPAC Name: [1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]imidazol-2-yl]-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone; methanesulfonate Traditional Name: [1-[(2R)-2-(3,4-dichlorophenyl)-4-(4-phenylquinuclidin-1-ium-1-yl)butyl]imidazol-2-yl]-tetralin-5-yl-methanone mesylate Formula: C38H43Cl2N3O4S MolecularWeight: 708.73672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CCC2=C(C=CC=C2C1)C(=O)C3=NC=CN3CC(CC[N+]45CCC(CC4)(CC5)C6=CC=CC=C6)C7=CC(=C(C=C7)Cl)Cl

Isomeric SMILES

CS(=O)(=O)[O-].C1CCC2=C(C=CC=C2C1)C(=O)C3=NC=CN3C[C@H](CC[N+]45CCC(CC4)(CC5)C6=CC=CC=C6)C7=CC(=C(C=C7)Cl)Cl

InChI

InChI=1S/C37H40Cl2N3O.CH4O3S/c38-33-14-13-28(25-34(33)39)29(15-21-42-22-16-37(17-23-42,18-24-42)30-9-2-1-3-10-30)26-41-20-19-40-36(41)35(43)32-12-6-8-27-7-4-5-11-31(27)32;1-5(2,3)4/h1-3,6,8-10,12-14,19-20,25,29H,4-5,7,11,15-18,21-24,26H2;1H3,(H,2,3,4)/q+1;/p-1/t29-,37?,42?;/m0./s1