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

Systemtic Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(2-chlorobenzyl)piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O3/c1-27-19(25)15-6-8-17(9-7-15)22-20(26)24-12-10-23(11-13-24)14-16-4-2-3-5-18(16)21/h2-9H,10-14H2,1H3,(H,22,26)/p+1