(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,5-dimethoxyphenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(2,5-dimethoxyphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,5-dimethoxyphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(2,5-dimethoxybenzyl)-(3-pyridylmethyl)ammonium Formula: C26H39N3O2+2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H37N3O2/c1-30-25-9-10-26(31-2)23(16-25)20-28(19-22-6-5-13-27-17-22)18-21-11-14-29(15-12-21)24-7-3-4-8-24/h5-6,9-10,13,16-17,21,24H,3-4,7-8,11-12,14-15,18-20H2,1-2H3/p+2