[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-2-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-2-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(2-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-(2-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(pyridin-2-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(2-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C24H38N5+3 MolecularWeight: 396.59202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C24H35N5/c1-27-14-9-24(10-15-27)29-16-7-22(8-17-29)19-28(18-21-5-12-25-13-6-21)20-23-4-2-3-11-26-23/h2-6,11-13,22,24H,7-10,14-20H2,1H3/p+3