methyl 2-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate

Systemtic Name: methyl 2-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate Openeye Name: methyl 2-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate CAS Name: 2-[[1-oxo-3-(1-piperazin-4-iumyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate Traditional Name: 2-(3-piperazin-4-ium-1-ylpropanoylamino)benzoic acid methyl ester Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCN2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCN2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O3/c1-21-15(20)12-4-2-3-5-13(12)17-14(19)6-9-18-10-7-16-8-11-18/h2-5,16H,6-11H2,1H3,(H,17,19)/p+1