2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: 2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: 2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]ethyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: 2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyl-4-oxanyl]ethyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: 2-[(2R,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]ethyl-p-anisyl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[C@@]1(C[C@@](CCO1)(CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H35NO3/c1-5-24(2)19-25(15-17-29-24,21-8-12-23(28-4)13-9-21)14-16-26-18-20-6-10-22(27-3)11-7-20/h6-13,26H,5,14-19H2,1-4H3/p+1/t24-,25+/m1/s1