2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)-4-oxanyl]ethyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H40N2O2+2 MolecularWeight: 376.5759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCOC(C2)(C)C)CC[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@]2(CCOC(C2)(C)C)CC[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C23H38N2O2/c1-20-5-7-21(8-6-20)23(10-16-27-22(2,3)19-23)9-12-24-11-4-13-25-14-17-26-18-15-25/h5-8,24H,4,9-19H2,1-3H3/p+2/t23-/m0/s1