ethyl 4-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-2-27-19(25)17-3-5-18(6-4-17)22-20(26)24-13-11-23(12-14-24)15-16-7-9-21-10-8-16/h3-10H,2,11-15H2,1H3,(H,22,26)/p+1