N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c1-22-9-11-24(12-10-22)27(21-33-14-16-36-17-15-33)31-29(35)26-20-34(19-23-6-3-2-4-7-23)32-28(26)25-8-5-13-30-18-25/h2-13,18,20,27H,14-17,19,21H2,1H3,(H,31,35)/p+1/t27-/m0/s1