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

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-bis(pyridin-3-ylmethyl)azanium Openeye Name: [1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-bis(3-pyridylmethyl)ammonium CAS Name: [1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-bis(3-pyridinylmethyl)ammonium IUPAC Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-bis(pyridin-3-ylmethyl)azanium Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-bis(3-pyridylmethyl)ammonium Formula: C26H34N4+2 MolecularWeight: 402.57496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CC3=CN=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H32N4/c1-22-6-2-3-9-26(22)21-29-14-10-23(11-15-29)18-30(19-24-7-4-12-27-16-24)20-25-8-5-13-28-17-25/h2-9,12-13,16-17,23H,10-11,14-15,18-21H2,1H3/p+2