4-[[2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethylazaniumyl]methyl]-2-methoxy-phenolate

Systemtic Name: 4-[[2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethylazaniumyl]methyl]-2-methoxy-phenolate Openeye Name: 4-[[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylammonio]methyl]-2-methoxy-phenolate CAS Name: 4-[[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethylammonio]methyl]-2-methoxyphenolate IUPAC Name: 4-[[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylazaniumyl]methyl]-2-methoxyphenolate Traditional Name: 4-[[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethylammonio]methyl]-2-methoxy-phenolate Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)[O-])OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)[O-])OC)C3=CC=CC=C3)C

InChI

InChI=1S/C23H31NO3/c1-22(2)17-23(12-14-27-22,19-7-5-4-6-8-19)11-13-24-16-18-9-10-20(25)21(15-18)26-3/h4-10,15,24-25H,11-14,16-17H2,1-3H3