2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-phenyl-4-oxanyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]azanium Traditional Name: benzyl-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]ammonium Formula: C22H30NO+ MolecularWeight: 324.4797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@@](CCO1)(CC[NH2+]CC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29NO/c1-21(2)18-22(14-16-24-21,20-11-7-4-8-12-20)13-15-23-17-19-9-5-3-6-10-19/h3-12,23H,13-18H2,1-2H3/p+1/t22-/m0/s1