[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(thian-4-yl)azanium

Systemtic Name: [1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(thian-4-yl)azanium Openeye Name: isobutyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl-(2-methylpropyl)-(4-thianyl)ammonium IUPAC Name: [1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)-(thian-4-yl)azanium Traditional Name: isobutyl-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C23H40N2OS+2 MolecularWeight: 392.6415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C3CCSCC3

Isomeric SMILES

CC(C)C[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C3CCSCC3

InChI

InChI=1S/C23H38N2OS/c1-19(2)16-25(22-10-14-27-15-11-22)17-20-8-12-24(13-9-20)18-21-6-4-5-7-23(21)26-3/h4-7,19-20,22H,8-18H2,1-3H3/p+2