2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]-4,6-dimethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-4,6-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N5O/c1-17-14-18(2)27-25(22(17)24(26)31)29(3)15-20-16-30(21-12-8-5-9-13-21)28-23(20)19-10-6-4-7-11-19/h4-14,16H,15H2,1-3H3,(H2,26,31)/p+1