2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C26H34N4O2/c1-28(16-12-21-10-11-25(31-2)26(17-21)32-3)23-8-5-14-29(19-23)20-24-9-6-15-30(24)22-7-4-13-27-18-22/h4,6-7,9-11,13,15,17-18,23H,5,8,12,14,16,19-20H2,1-3H3/p+1/t23-/m0/s1