(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-veratrylpiperidin-1-ium-3-ol Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)O)OC

InChI

InChI=1S/C14H21NO3/c1-17-13-6-5-11(8-14(13)18-2)9-15-7-3-4-12(16)10-15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/p+1/t12-/m0/s1