N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25BrN4O2/c1-24(15-20(27)23-19-10-6-5-9-18(19)22)21(28)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,27)/p+1