2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(3-methylphenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(3-methylphenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(m-tolylsulfanyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-[(3-methylphenyl)thio]-1-piperidin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(3-methylphenyl)sulfanylpiperidin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2,3-dimethoxyphenyl)-5-methyl-4-[[4-(m-tolylthio)piperidin-1-ium-1-yl]methyl]oxazole Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C(=CC=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)SC2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C(=CC=C4)OC)OC)C

InChI

InChI=1S/C25H30N2O3S/c1-17-7-5-8-20(15-17)31-19-11-13-27(14-12-19)16-22-18(2)30-25(26-22)21-9-6-10-23(28-3)24(21)29-4/h5-10,15,19H,11-14,16H2,1-4H3/p+1