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

Systemtic Name: 1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-5-isopropyl-4-methyl-benzyl)-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O2/c1-16(2)21-14-19(22(26)13-17(21)3)15-25-11-9-18(10-12-25)23(27)24-20-7-5-4-6-8-20/h4-8,13-14,16,18,26H,9-12,15H2,1-3H3,(H,24,27)/p+1