methyl 2-[[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(4-cinnamylpiperazin-4-ium-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 2-[(4-cinnamylpiperazin-4-ium-1-carbonyl)amino]benzoic acid methyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-28-21(26)19-11-5-6-12-20(19)23-22(27)25-16-14-24(15-17-25)13-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3,(H,23,27)/p+1