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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-isobutoxyphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-isobutoxyphenyl)methanone Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-17(2)16-28-19-7-5-6-18(14-19)23(27)26-12-10-25(11-13-26)15-22-24-20-8-3-4-9-21(20)29-22/h3-9,14,17H,10-13,15-16H2,1-2H3/p+1