N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Openeye Name: 1-isopropyl-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyrazole-4-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-1-propan-2-yl-N-(3-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Traditional Name: 1-isopropyl-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)pyrazole-4-carboxamide Formula: C27H36N5O+ MolecularWeight: 446.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O/c1-21(2)32-20-26(16-29-32)27(33)31(18-24-8-6-12-28-15-24)17-23-10-13-30(14-11-23)19-25-9-5-4-7-22(25)3/h4-9,12,15-16,20-21,23H,10-11,13-14,17-19H2,1-3H3/p+1