2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-methylazanium Traditional Name: homoveratryl-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-methyl-ammonium Formula: C20H32N4O2+2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=[NH+]C=CN3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=[NH+]C=CN3

InChI

InChI=1S/C20H30N4O2/c1-23(12-8-16-6-7-18(25-2)19(13-16)26-3)17-5-4-11-24(14-17)15-20-21-9-10-22-20/h6-7,9-10,13,17H,4-5,8,11-12,14-15H2,1-3H3,(H,21,22)/p+2/t17-/m0/s1