N-methyl-N-(phenylmethyl)-4-[(1,2,3-trimethyl-1,5-dihydropyrazol-1-ium-5-yl)diazenyl]aniline ethanoate

Systemtic Name: N-methyl-N-(phenylmethyl)-4-[(1,2,3-trimethyl-1,5-dihydropyrazol-1-ium-5-yl)diazenyl]aniline ethanoate Openeye Name: N-benzyl-N-methyl-4-[(1,2,3-trimethyl-1,5-dihydropyrazol-1-ium-5-yl)azo]aniline acetate CAS Name: N-methyl-N-(phenylmethyl)-4-[(1,2,3-trimethyl-1,5-dihydropyrazol-1-ium-5-yl)azo]aniline acetate IUPAC Name: N-benzyl-N-methyl-4-[(1,2,3-trimethyl-1,5-dihydropyrazol-1-ium-5-yl)diazenyl]aniline acetate Traditional Name: benzyl-methyl-[4-[(1,2,5-trimethyl-3-pyrazolin-2-ium-3-yl)azo]phenyl]amine acetate Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC([NH+](N1C)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.CC(=O)[O-]

Isomeric SMILES

CC1=CC([NH+](N1C)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.CC(=O)[O-]

InChI

InChI=1S/C20H25N5.C2H4O2/c1-16-14-20(25(4)24(16)3)22-21-18-10-12-19(13-11-18)23(2)15-17-8-6-5-7-9-17;1-2(3)4/h5-14,20H,15H2,1-4H3;1H3,(H,3,4)