(2S)-N-(5-methylpyridin-2-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(5-methylpyridin-2-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(5-methyl-2-pyridyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(5-methyl-2-pyridinyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-methylpyridin-2-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(5-methyl-2-pyridyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C13H20N4O/c1-10-3-4-12(15-9-10)16-13(18)11(2)17-7-5-14-6-8-17/h3-4,9,11,14H,5-8H2,1-2H3,(H,15,16,18)/p+1/t11-/m0/s1