N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4CC4)C

InChI

InChI=1S/C19H26N4OS/c1-13-3-6-16-17(14(13)2)21-19(25-16)23-11-9-22(10-12-23)8-7-20-18(24)15-4-5-15/h3,6,15H,4-5,7-12H2,1-2H3,(H,20,24)/p+1