4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-chloroanilino)-2-oxo-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O3/c1-28-18-9-5-4-8-17(18)23-20(27)25-12-10-24(11-13-25)14-19(26)22-16-7-3-2-6-15(16)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1