(2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C19H32NO3+ MolecularWeight: 322.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COCCOC2=CC(=C(C=C2)C)C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COCCOC2=CC(=C(C=C2)C)C)O

InChI

InChI=1S/C19H31NO3/c1-15-6-8-20(9-7-15)13-18(21)14-22-10-11-23-19-5-4-16(2)17(3)12-19/h4-5,12,15,18,21H,6-11,13-14H2,1-3H3/p+1/t18-/m0/s1