methyl 4-(4-phenethylpiperazin-4-ium-1-yl)carbonylbenzoate

Systemtic Name: methyl 4-(4-phenethylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: methyl 4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 4-(4-phenethylpiperazin-4-ium-1-carbonyl)benzoic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)19-9-7-18(8-10-19)20(24)23-15-13-22(14-16-23)12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1