(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-veratryl-piperidin-1-ium-3-ol Formula: C20H34N2O3+2 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3)OC

InChI

InChI=1S/C20H32N2O3/c1-24-19-8-7-16(13-20(19)25-2)14-21-12-9-17(18(23)15-21)22-10-5-3-4-6-11-22/h7-8,13,17-18,23H,3-6,9-12,14-15H2,1-2H3/p+2/t17-,18-/m1/s1