4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium; 4-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)propyl]phenolate

Systemtic Name: 4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium; 4-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)propyl]phenolate Openeye Name: 4-benzhydryloxy-1-methyl-piperidin-1-ium; 4-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propyl]phenolate CAS Name: 4-(diphenylmethyl)oxy-1-methylpiperidin-1-ium; 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenolate IUPAC Name: 4-benzhydryloxy-1-methylpiperidin-1-ium; 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenolate Traditional Name: 4-benzhydryloxy-1-methyl-piperidin-1-ium; 4-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]propyl]phenolate Formula: C38H48N2O3 MolecularWeight: 580.79932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)[O-])O.C[NH+]1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)[O-])O.C[NH+]1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO2.C19H23NO/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3;2-11,18-19H,12-15H2,1H3