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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-(3,4-dichlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H27Cl2N4O2+ MolecularWeight: 414.34928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26Cl2N4O2/c20-16-6-5-15(13-17(16)21)22-19(27)25-11-9-23(10-12-25)14-18(26)24-7-3-1-2-4-8-24/h5-6,13H,1-4,7-12,14H2,(H,22,27)/p+1