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

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropyl)-(3-pyridylmethyl)ammonium CAS Name: [1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-[3-(1-pyrazolyl)propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropyl)-(3-pyridylmethyl)ammonium Formula: C26H37N5+2 MolecularWeight: 419.60548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CCCN3C=CC=N3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH+](CCCN3C=CC=N3)CC4=CN=CC=C4

InChI

InChI=1S/C26H35N5/c1-23-7-2-3-9-26(23)22-29-17-10-24(11-18-29)20-30(21-25-8-4-12-27-19-25)14-6-16-31-15-5-13-28-31/h2-5,7-9,12-13,15,19,24H,6,10-11,14,16-18,20-22H2,1H3/p+2