4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-chlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-chlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(3-chlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-chlorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H28ClN4O2+ MolecularWeight: 379.90422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H27ClN4O2/c20-16-6-5-7-17(14-16)21-19(26)24-12-10-22(11-13-24)15-18(25)23-8-3-1-2-4-9-23/h5-7,14H,1-4,8-13,15H2,(H,21,26)/p+1