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

Systemtic Name: 1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O2/c1-17(2)22-14-21(23(27)13-18(22)3)16-26-11-9-20(10-12-26)24(28)25-15-19-7-5-4-6-8-19/h4-8,13-14,17,20,27H,9-12,15-16H2,1-3H3,(H,25,28)/p+1