2-[(2S,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2S,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2S,4S)-2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 2-[(2S,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)-4-oxanyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2S,4S)-2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2S,4S)-2-ethyl-2-methyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium Formula: C24H34NO+ MolecularWeight: 352.53286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3/p+1/t23-,24-/m0/s1