N-[3-(3-azanyl-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethylpyrrol-1-yl)-N-methyl-benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethylpyrrol-1-yl)-N-methyl-benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethylpyrrol-1-yl)-N-methyl-benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethyl-1-pyrrolyl)-N-methylbenzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethylpyrrol-1-yl)-N-methylbenzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-2-ium-5-yl)propyl]-4-(2,5-dimethylpyrrol-1-yl)-N-methyl-benzamide Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N(C)CCCC3=C(C(=[NH+]N3)N)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N(C)CCCC3=C(C(=[NH+]N3)N)C#N)C

InChI

InChI=1S/C21H24N6O/c1-14-6-7-15(2)27(14)17-10-8-16(9-11-17)21(28)26(3)12-4-5-19-18(13-22)20(23)25-24-19/h6-11H,4-5,12H2,1-3H3,(H3,23,24,25)/p+1