N-(1-azabicyclo[2.2.2]octan-3-yl)-4-azanyl-5-chloranyl-2-(3-oxidanylbutan-2-yl)benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-azanyl-5-chloranyl-2-(3-oxidanylbutan-2-yl)benzamide Openeye Name: 4-amino-5-chloro-2-(2-hydroxy-1-methyl-propyl)-N-quinuclidin-3-yl-benzamide CAS Name: 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-(3-hydroxybutan-2-yl)benzamide IUPAC Name: 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-(3-hydroxybutan-2-yl)benzamide Traditional Name: 4-amino-5-chloro-2-(2-hydroxy-1-methyl-propyl)-N-quinuclidin-3-yl-benzamide Formula: C18H26ClN3O2 MolecularWeight: 351.87094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N)C(C)O

Isomeric SMILES

CC(C1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N)C(C)O

InChI

InChI=1S/C18H26ClN3O2/c1-10(11(2)23)13-8-16(20)15(19)7-14(13)18(24)21-17-9-22-5-3-12(17)4-6-22/h7-8,10-12,17,23H,3-6,9,20H2,1-2H3,(H,21,24)