2-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H23N2S+ MolecularWeight: 323.47502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2S/c1-15-6-2-3-7-17(15)14-22-12-10-16(11-13-22)20-21-18-8-4-5-9-19(18)23-20/h2-9,16H,10-14H2,1H3/p+1