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

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H28BrN4O3+ MolecularWeight: 476.38672

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O3/c1-25(15-21(28)24-20-6-4-3-5-19(20)23)22(29)16-26-11-13-27(14-12-26)17-7-9-18(30-2)10-8-17/h3-10H,11-16H2,1-2H3,(H,24,28)/p+1