(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-piperidinophenyl)propionamide Formula: C26H41N4O2+ MolecularWeight: 441.62934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H40N4O2/c1-21(25(31)27-23-9-11-24(12-10-23)29-15-7-4-8-16-29)28-19-13-22(14-20-28)26(32)30-17-5-2-3-6-18-30/h9-12,21-22H,2-8,13-20H2,1H3,(H,27,31)/p+1/t21-/m1/s1