[4-(1-adamantylcarbonylamino)-2,6-dimethyl-pyridin-1-ium-3-yl] adamantane-1-carboxylate

Systemtic Name: [4-(1-adamantylcarbonylamino)-2,6-dimethyl-pyridin-1-ium-3-yl] adamantane-1-carboxylate Openeye Name: [4-(adamantane-1-carbonylamino)-2,6-dimethyl-pyridin-1-ium-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-[[1-adamantyl(oxo)methyl]amino]-2,6-dimethyl-3-pyridin-1-iumyl] ester IUPAC Name: [4-(adamantane-1-carbonylamino)-2,6-dimethylpyridin-1-ium-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-(adamantane-1-carbonylamino)-2,6-dimethyl-pyridin-1-ium-3-yl] ester Formula: C29H39N2O3+ MolecularWeight: 463.63156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)OC(=O)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C29H38N2O3/c1-16-3-24(31-26(32)28-10-18-4-19(11-28)6-20(5-18)12-28)25(17(2)30-16)34-27(33)29-13-21-7-22(14-29)9-23(8-21)15-29/h3,18-23H,4-15H2,1-2H3,(H,30,31,32)/p+1