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

Systemtic Name: 2-[[2-butyl-4-(dimethylamino)-1-oxidanylidene-3-phenyl-pyrrolidin-1-ium-2-yl]methyl]phenol Openeye Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenyl-pyrrolidin-1-ium-2-yl]methyl]phenol CAS Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenyl-2-pyrrolidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[2-butyl-4-(dimethylamino)-1-oxo-3-phenylpyrrolidin-1-ium-2-yl]methyl]phenol Traditional Name: 2-[[2-butyl-4-(dimethylamino)-1-keto-3-phenyl-pyrrolidin-1-ium-2-yl]methyl]phenol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-4-5-15-23(16-19-13-9-10-14-21(19)26)22(18-11-7-6-8-12-18)20(24(2)3)17-25(23)27/h6-14,20,22H,4-5,15-17H2,1-3H3/p+1