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

Systemtic Name: (2-methylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(o-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (2-methylphenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-methylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-methylbenzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C26H41N4+3 MolecularWeight: 409.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C26H38N4/c1-22-5-3-4-6-25(22)21-29(19-23-7-13-27-14-8-23)20-24-9-17-30(18-10-24)26-11-15-28(2)16-12-26/h3-8,13-14,24,26H,9-12,15-21H2,1-2H3/p+3