N-[2-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-keto-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]-4-phenoxy-benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-20-18-22(31-16-14-30(2)15-17-31)10-13-25(20)29-26(32)19-28-27(33)21-8-11-24(12-9-21)34-23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3,(H,28,33)(H,29,32)/p+1