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

Systemtic Name: N-[1-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperidin-1-ium-4-yl]benzamide 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)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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