(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)OC

Isomeric SMILES

COCC1=C(C=CC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C27H39N3O2/c1-31-21-25-16-23(9-10-27(25)32-2)19-29(20-24-6-5-13-28-17-24)18-22-11-14-30(15-12-22)26-7-3-4-8-26/h5-6,9-10,13,16-17,22,26H,3-4,7-8,11-12,14-15,18-21H2,1-2H3/p+2