2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yl-oxan-4-yl]ethyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yl-oxan-4-yl]ethyl-[(1S)-1-phenylethyl]azanium Openeye Name: 2-[(2R,4S)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-[(1S)-1-phenylethyl]ammonium CAS Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yl-4-oxanyl]ethyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(1S)-1-phenylethyl]azanium Traditional Name: 2-[(2R,4S)-2-isopropyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-[(1S)-1-phenylethyl]ammonium Formula: C25H36NO+ MolecularWeight: 366.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO/c1-19(2)24-18-25(15-17-27-24,23-12-10-20(3)11-13-23)14-16-26-21(4)22-8-6-5-7-9-22/h5-13,19,21,24,26H,14-18H2,1-4H3/p+1/t21-,24+,25-/m0/s1