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

Systemtic Name: (2S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H18ClN4OS+ MolecularWeight: 325.83692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3CC[NH2+]CC3

InChI

InChI=1S/C14H17ClN4OS/c1-9(19-6-4-16-5-7-19)13(20)18-14-17-11-3-2-10(15)8-12(11)21-14/h2-3,8-9,16H,4-7H2,1H3,(H,17,18,20)/p+1/t9-/m0/s1