(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol CAS Name: (2S)-1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2C(CCCC2C)C)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2[C@H](CCC[C@@H]2C)C)O

InChI

InChI=1S/C19H31NO2/c1-4-6-17-9-11-19(12-10-17)22-14-18(21)13-20-15(2)7-5-8-16(20)3/h9-12,15-16,18,21H,4-8,13-14H2,1-3H3/p+1/t15-,16-,18-/m0/s1