3-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)-4-oxanyl]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]acetyl]amino]propyl-dimethyl-ammonium Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1[C@]2(CCOC(C2)(C)C)CC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H34N2O2/c1-17-9-6-7-10-18(17)21(11-14-25-20(2,3)16-21)15-19(24)22-12-8-13-23(4)5/h6-7,9-10H,8,11-16H2,1-5H3,(H,22,24)/p+1/t21-/m1/s1