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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-15-11-16(2)13-17(12-15)21(25)24-9-7-23(8-10-24)14-20-22-18-5-3-4-6-19(18)26-20/h3-6,11-13H,7-10,14H2,1-2H3/p+1