1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C23H30N4OS+2 MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4OS/c1-18-7-3-4-8-19(18)15-26-11-13-27(14-12-26)23(28)17-25(2)16-22-24-20-9-5-6-10-21(20)29-22/h3-10H,11-17H2,1-2H3/p+2