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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-(pyridin-3-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-(3-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-(3-pyridinylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-(pyridin-3-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-carbomethoxybenzyl)-(3-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2/c1-23(2)13-21(14-24(3,4)26-23)27(17-19-7-6-12-25-15-19)16-18-8-10-20(11-9-18)22(28)29-5/h6-12,15,21,26H,13-14,16-17H2,1-5H3/p+2