3-methyl-N-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]benzamide

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]benzamide Openeye Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]benzamide IUPAC Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-3-methyl-benzamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c1-21-6-5-9-23(18-21)27(33)28-19-26(32)29-24-10-12-25(13-11-24)31-16-14-30(15-17-31)20-22-7-3-2-4-8-22/h2-13,18H,14-17,19-20H2,1H3,(H,28,33)(H,29,32)/p+1