N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-1-methyl-4-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-methyl-4-phenylpiperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-methyl-4-phenyl-piperidin-1-ium-4-carboxamide Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)NC3CCC[NH+](C3)C4CCCCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@H]3CCC[NH+](C3)C4CCCCCC4

InChI

InChI=1S/C25H39N3O/c1-27-18-15-25(16-19-27,21-10-5-4-6-11-21)24(29)26-22-12-9-17-28(20-22)23-13-7-2-3-8-14-23/h4-6,10-11,22-23H,2-3,7-9,12-20H2,1H3,(H,26,29)/p+2/t22-/m0/s1