N,1-dimethyl-N-[(1R)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide

Systemtic Name: N,1-dimethyl-N-[(1R)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide Openeye Name: N,1-dimethyl-N-[(1R)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide CAS Name: N,1-dimethyl-N-[(1R)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-3-pyrazolecarboxamide IUPAC Name: N,1-dimethyl-N-[(1R)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyrazole-3-carboxamide Traditional Name: N,1-dimethyl-N-[(1R)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyrazole-3-carboxamide Formula: C27H35N4O+ MolecularWeight: 431.593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O/c1-21-9-7-8-12-24(21)20-31-17-13-23(14-18-31)26(19-22-10-5-4-6-11-22)30(3)27(32)25-15-16-29(2)28-25/h4-12,15-16,23,26H,13-14,17-20H2,1-3H3/p+1/t26-/m1/s1