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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(2-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N4O3/c1-27-18-9-5-4-8-17(18)21-20(26)24-14-12-22(13-15-24)16-19(25)23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-16H2,1H3,(H,21,26)/p+1