(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (2S)-2-[2-(1-azepan-1-iumyl)ethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-N-phenyl-piperidine-1-carboxamide Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC2CCCCN2C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC[C@@H]2CCCCN2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c24-20(21-18-10-4-3-5-11-18)23-16-9-6-12-19(23)13-17-22-14-7-1-2-8-15-22/h3-5,10-11,19H,1-2,6-9,12-17H2,(H,21,24)/p+1/t19-/m0/s1