[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]-ethyl-ammonium CAS Name: [5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]-ethylazanium Traditional Name: benzyl-[[5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl]-6-keto-1H-pyridin-2-yl]methyl]-ethyl-ammonium Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=C(NN=C3C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=C(NN=C3C)C

InChI

InChI=1S/C22H27N5O2/c1-4-27(13-17-8-6-5-7-9-17)14-18-10-11-19(22(29)24-18)21(28)23-12-20-15(2)25-26-16(20)3/h5-11H,4,12-14H2,1-3H3,(H,23,28)(H,24,29)(H,25,26)/p+1