methyl 4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoate CAS Name: 4-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoate Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)ethoxy]benzoic acid methyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-25-21(24)19-7-9-20(10-8-19)26-16-15-22-11-13-23(14-12-22)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3/p+1