methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[[(E)-3-p-cumenylacryloyl]amino]benzoic acid methyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C25H31N3O3/c1-18(2)20-8-5-19(6-9-20)7-12-24(29)26-22-17-21(25(30)31-4)10-11-23(22)28-15-13-27(3)14-16-28/h5-12,17-18H,13-16H2,1-4H3,(H,26,29)/p+1/b12-7+