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

Systemtic Name: N-(3,4-dichlorophenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide Formula: C20H23Cl2N4O2+ MolecularWeight: 422.32822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4O2/c21-17-7-6-16(12-18(17)22)24-20(28)26-10-8-25(9-11-26)14-19(27)23-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,23,27)(H,24,28)/p+1