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

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(2,4-dimethoxy-3-methylphenyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(2,4-dimethoxy-3-methylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(2,4-dimethoxy-3-methyl-benzyl)-(3-pyridylmethyl)ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C27H39N3O2/c1-21-26(31-2)11-10-24(27(21)32-3)20-29(19-23-7-6-14-28-17-23)18-22-12-15-30(16-13-22)25-8-4-5-9-25/h6-7,10-11,14,17,22,25H,4-5,8-9,12-13,15-16,18-20H2,1-3H3/p+2