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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-naphthalen-1-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(1-naphthyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(1-naphthalenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-naphthalen-1-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(1-naphthyl)piperazin-4-ium-1-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H30N4O2/c28-22(26-12-5-1-2-6-13-26)18-25-14-16-27(17-15-25)23(29)24-21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-11H,1-2,5-6,12-18H2,(H,24,29)/p+1