[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(1-methylpiperidin-1-ium-4-yl)-(pyridin-3-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)C4CC[NH+](CC4)C

InChI

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