methyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-26-21(25)18-9-7-17(8-10-18)20(24)23-13-11-22(12-14-23)15-16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1