2-[[2-butyl-4-(dimethylamino)-1-oxidanylidene-3-phenyl-piperidin-1-ium-2-yl]methyl]phenol

Systemtic Name: 2-[[2-butyl-4-(dimethylamino)-1-oxidanylidene-3-phenyl-piperidin-1-ium-2-yl]methyl]phenol Openeye Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenyl-piperidin-1-ium-2-yl]methyl]phenol CAS Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenyl-2-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenylpiperidin-1-ium-2-yl]methyl]phenol Traditional Name: 2-[[2-butyl-4-(dimethylamino)-1-keto-3-phenyl-piperidin-1-ium-2-yl]methyl]phenol Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C(CC[N+]1=O)N(C)C)C2=CC=CC=C2)CC3=CC=CC=C3O

Isomeric SMILES

CCCCC1(C(C(CC[N+]1=O)N(C)C)C2=CC=CC=C2)CC3=CC=CC=C3O

InChI

InChI=1S/C24H32N2O2/c1-4-5-16-24(18-20-13-9-10-14-22(20)27)23(19-11-7-6-8-12-19)21(25(2)3)15-17-26(24)28/h6-14,21,23H,4-5,15-18H2,1-3H3/p+1