methyl 2-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O3/c1-11(18-9-7-16-8-10-18)14(19)17-13-6-4-3-5-12(13)15(20)21-2/h3-6,11,16H,7-10H2,1-2H3,(H,17,19)/p+1/t11-/m0/s1