(3-methoxy-4-oxidanyl-phenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: 4-pyridylmethyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-vanillyl-ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C23H33N3O2/c1-22(2)13-19(14-23(3,4)25-22)26(15-17-8-10-24-11-9-17)16-18-6-7-20(27)21(12-18)28-5/h6-12,19,25,27H,13-16H2,1-5H3/p+2