(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-veratryloxy-propan-2-ol Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH+]2CCCCC2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH+]2CCCCC2)O)OC

InChI

InChI=1S/C17H27NO4/c1-20-16-7-6-14(10-17(16)21-2)12-22-13-15(19)11-18-8-4-3-5-9-18/h6-7,10,15,19H,3-5,8-9,11-13H2,1-2H3/p+1/t15-/m0/s1