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

Systemtic Name: ethyl 4-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-(1-piperazin-4-iumyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-piperazin-4-ium-1-ylpropanoyl]amino]benzoic acid ethyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O3/c1-3-22-16(21)13-4-6-14(7-5-13)18-15(20)12(2)19-10-8-17-9-11-19/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1