methyl 4-[(E)-3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]prop-1-enyl]benzoic acid methyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3/c1-24-13-15-25(16-14-24)20-10-8-19(9-11-20)23-21(26)12-5-17-3-6-18(7-4-17)22(27)28-2/h3-12H,13-16H2,1-2H3,(H,23,26)/p+1/b12-5+