[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2,3-dimethyl-1H-indol-5-yl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H24N4OS/c1-15-16(2)24-19-8-7-17(13-18(15)19)23(28)27-11-9-26(10-12-27)14-22-25-20-5-3-4-6-21(20)29-22/h3-8,13,24H,9-12,14H2,1-2H3/p+1