2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-phenylethyl]azanium Openeye Name: 2-[(4S)-4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-[(1R)-1-phenylethyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)-4-oxanyl]ethyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-phenylethyl]azanium Traditional Name: 2-[(4S)-4-isoamyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-[(1R)-1-phenylethyl]ammonium Formula: C22H38NO+ MolecularWeight: 332.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)(C)C)CC[NH2+]C(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC[C@]2(CCOC(C2)(C)C)CCC(C)C

InChI

InChI=1S/C22H37NO/c1-18(2)11-12-22(14-16-24-21(4,5)17-22)13-15-23-19(3)20-9-7-6-8-10-20/h6-10,18-19,23H,11-17H2,1-5H3/p+1/t19-,22+/m1/s1