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

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3-methyl-benzamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3-methyl-benzamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-3-methylbenzamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3-methylbenzamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3-methyl-benzamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC(=CC=C4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C23H28N4OS/c1-16-5-4-6-19(15-16)22(28)24-9-10-26-11-13-27(14-12-26)23-25-21-18(3)17(2)7-8-20(21)29-23/h4-8,15H,9-14H2,1-3H3,(H,24,28)/p+1