[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-oxidanyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-hydroxy-4-methyl-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-hydroxy-4-methylphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-hydroxy-4-methylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-hydroxy-4-methyl-phenyl)methanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H21N3O2S/c1-14-6-7-15(17(24)12-14)20(25)23-10-8-22(9-11-23)13-19-21-16-4-2-3-5-18(16)26-19/h2-7,12,24H,8-11,13H2,1H3/p+1