(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(5-methylthiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(5-methyl-2-thiazolyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(5-methylthiazol-2-yl)-2-piperazin-4-ium-1-yl-propionamide Formula: C11H19N4OS+ MolecularWeight: 255.35976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CN=C(S1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C11H18N4OS/c1-8-7-13-11(17-8)14-10(16)9(2)15-5-3-12-4-6-15/h7,9,12H,3-6H2,1-2H3,(H,13,14,16)/p+1/t9-/m0/s1