4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H38N5O3+ MolecularWeight: 456.60092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H37N5O3/c31-23(28-12-6-1-2-7-13-28)20-27-16-18-29(19-17-27)24(32)21-10-14-30(15-11-21)25(33)26-22-8-4-3-5-9-22/h3-5,8-9,21H,1-2,6-7,10-20H2,(H,26,33)/p+1