2-[1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(4,5-dimethoxy-2-methyl-benzyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-15-12-19(25-2)20(26-3)13-17(15)14-24-10-8-16(9-11-24)22-23-18-6-4-5-7-21(18)27-22/h4-7,12-13,16H,8-11,14H2,1-3H3/p+1