ethyl 2-methyl-4-(piperidin-1-ium-1-ylmethyl)-6-propan-2-yl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(piperidin-1-ium-1-ylmethyl)-6-propan-2-yl-pyridine-3-carboxylate Openeye Name: ethyl 6-isopropyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)pyridine-3-carboxylate CAS Name: 2-methyl-4-(1-piperidin-1-iumylmethyl)-6-propan-2-yl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(piperidin-1-ium-1-ylmethyl)-6-propan-2-ylpyridine-3-carboxylate Traditional Name: 6-isopropyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)nicotinic acid ethyl ester Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C[NH+]2CCCCC2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C[NH+]2CCCCC2)C(C)C)C

InChI

InChI=1S/C18H28N2O2/c1-5-22-18(21)17-14(4)19-16(13(2)3)11-15(17)12-20-9-7-6-8-10-20/h11,13H,5-10,12H2,1-4H3/p+1