1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]methyl]pyridin-1-ium-3-carboxamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC[N+]2=CC=CC(=C2)C(=O)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC[N+]2=CC=CC(=C2)C(=O)N)C(C)C

InChI

InChI=1S/C17H26N2O2/c1-12(2)15-7-6-13(3)9-16(15)21-11-19-8-4-5-14(10-19)17(18)20/h4-5,8,10,12-13,15-16H,6-7,9,11H2,1-3H3,(H-,18,20)/p+1/t13-,15+,16-/m1/s1