ethyl 3-[(4-chlorophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-chlorophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-chlorobenzoyl)amino]benzoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-chlorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-chlorobenzoyl)amino]benzoic acid ethyl ester Formula: C27H29ClN3O3+ MolecularWeight: 478.99046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O3/c1-2-34-27(33)22-10-13-25(24(18-22)29-26(32)21-8-11-23(28)12-9-21)31-16-14-30(15-17-31)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,29,32)/p+1