(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanyl-propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]sulfanylpropanamide Traditional Name: (2S)-2-[[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H23N5O3S/c1-13-11-16(21-26-13)20-18(25)14(2)27-12-17(24)23-9-7-22(8-10-23)15-3-5-19-6-4-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21,25)/p+1/t14-/m0/s1