(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxyquinolin-2-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxyquinolin-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2-quinolyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(8-methoxy-2-quinolinyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxyquinolin-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(8-methoxy-2-quinolyl)methyl]-(3-pyridylmethyl)ammonium Formula: C28H38N4O+2 MolecularWeight: 446.62752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H36N4O/c1-33-27-10-4-7-24-11-12-25(30-28(24)27)21-31(20-23-6-5-15-29-18-23)19-22-13-16-32(17-14-22)26-8-2-3-9-26/h4-7,10-12,15,18,22,26H,2-3,8-9,13-14,16-17,19-21H2,1H3/p+2