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

Systemtic Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(phenylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: benzyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-(phenylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: benzyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: benzyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H39N4+3 MolecularWeight: 395.60396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H36N4/c1-27-15-11-25(12-16-27)29-17-9-24(10-18-29)21-28(19-22-5-3-2-4-6-22)20-23-7-13-26-14-8-23/h2-8,13-14,24-25H,9-12,15-21H2,1H3/p+3