3-(3,4-dimethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrazole-4-carboxamide Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31N5O2/c1-21-8-10-25(16-22(21)2)28-26(20-34(32-28)19-23-6-4-3-5-7-23)29(35)31-18-24-9-11-27(30-17-24)33-12-14-36-15-13-33/h3-11,16-17,20H,12-15,18-19H2,1-2H3,(H,31,35)/p+1