(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C)N3CC[NH2+]CC3

InChI

InChI=1S/C15H20N4OS/c1-10-3-4-12-13(9-10)21-15(17-12)18-14(20)11(2)19-7-5-16-6-8-19/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)/p+1/t11-/m0/s1