methyl 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-25-19(24)17-4-2-16(3-5-17)18(23)22-12-10-21(11-13-22)14-15-6-8-20-9-7-15/h2-9H,10-14H2,1H3/p+1