[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 4-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 4-chloranylbenzoate Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl] ester Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O3/c21-18-8-6-17(7-9-18)20(25)26-15-19(24)23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1