2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c1-17-7-3-4-8-19(17)15-25(2)22(27)16-26-13-11-18(12-14-26)23-24-20-9-5-6-10-21(20)28-23/h3-10,18H,11-16H2,1-2H3/p+1