3-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[(3S)-3-[(3,4-dimethylphenyl)amino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 3-[(3S)-3-(3,4-dimethylanilino)-1-piperidin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: 3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC(C)(C)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC(C)(C)CO)C

InChI

InChI=1S/C18H30N2O/c1-14-7-8-16(10-15(14)2)19-17-6-5-9-20(11-17)12-18(3,4)13-21/h7-8,10,17,19,21H,5-6,9,11-13H2,1-4H3/p+1/t17-/m0/s1