(2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-naphthalen-1-yl-propanamide

Systemtic Name: (2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-naphthalen-1-yl-propanamide Openeye Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(1-naphthyl)propanamide CAS Name: (2S)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide Traditional Name: (2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(1-naphthyl)propionamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O2/c1-19(24(29)26-23-12-8-10-20-9-4-5-11-22(20)23)27-17-13-21(14-18-27)25(30)28-15-6-2-3-7-16-28/h4-5,8-12,19,21H,2-3,6-7,13-18H2,1H3,(H,26,29)/p+1/t19-/m0/s1