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

Systemtic Name: (3-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-(m-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-methylphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (3-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=C1)C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

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