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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCOC(C2)C(C)C)CC[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(CCO[C@@H](C2)C(C)C)CC[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C24H33NO/c1-19(2)23-17-24(14-16-26-23,22-11-9-20(3)10-12-22)13-15-25-18-21-7-5-4-6-8-21/h4-12,19,23,25H,13-18H2,1-3H3/p+1/t23-,24+/m0/s1