methyl 2-[(4-phenethylpiperazin-4-ium-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-phenethylpiperazin-4-ium-1-carbonyl)amino]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-20(25)18-9-5-6-10-19(18)22-21(26)24-15-13-23(14-16-24)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,22,26)/p+1