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

Systemtic Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yl-oxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: (4-isopropoxyphenyl)methyl-[2-[(2R,4S)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yl-4-oxanyl]ethyl-[(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: (4-isopropoxybenzyl)-[2-[(2R,4S)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl]ammonium Formula: C27H40NO2+ MolecularWeight: 410.612

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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=C(C=C3)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-20(2)26-18-27(15-17-29-26,24-10-6-22(5)7-11-24)14-16-28-19-23-8-12-25(13-9-23)30-21(3)4/h6-13,20-21,26,28H,14-19H2,1-5H3/p+1/t26-,27+/m1/s1