[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] 3-methylbut-2-enoate Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl] ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3O3/c1-19(2)16-24(29)30-18-23(28)25-21-8-10-22(11-9-21)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,28)/p+1