N-methyl-2-[methyl-(phenylmethyl)amino]-6-phenyl-N-(1H-pyrazol-5-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-2-[methyl-(phenylmethyl)amino]-6-phenyl-N-(1H-pyrazol-5-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[benzyl(methyl)amino]-N-methyl-6-phenyl-N-(1H-pyrazol-5-ylmethyl)pyridin-1-ium-3-carboxamide CAS Name: N-methyl-2-[methyl-(phenylmethyl)amino]-6-phenyl-N-(1H-pyrazol-5-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[benzyl(methyl)amino]-N-methyl-6-phenyl-N-(1H-pyrazol-5-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[benzyl(methyl)amino]-N-methyl-6-phenyl-N-(1H-pyrazol-5-ylmethyl)pyridin-1-ium-3-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N(C)CC4=CC=NN4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N(C)CC4=CC=NN4

InChI

InChI=1S/C25H25N5O/c1-29(17-19-9-5-3-6-10-19)24-22(25(31)30(2)18-21-15-16-26-28-21)13-14-23(27-24)20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3,(H,26,28)/p+1