methyl 1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C18H27NO3/c1-12(2)16-10-15(17(20)9-13(16)3)11-19-7-5-14(6-8-19)18(21)22-4/h9-10,12,14,20H,5-8,11H2,1-4H3/p+1