(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C16H23N5O2+2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H21N5O2/c1-12-11-14(19-23-12)18-16(22)13(2)20-7-9-21(10-8-20)15-5-3-4-6-17-15/h3-6,11,13H,7-10H2,1-2H3,(H,18,19,22)/p+2/t13-/m0/s1