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

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)-4-oxanyl]ethyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]ethyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C22H38N2O2+2 MolecularWeight: 362.54932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2/c1-19-4-6-20(7-5-19)22(9-15-26-21(2,3)18-22)8-10-23-11-12-24-13-16-25-17-14-24/h4-7,23H,8-18H2,1-3H3/p+2/t22-/m0/s1