N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)C

InChI

InChI=1S/C21H20N4O/c1-14-7-8-15(2)25(14)18-11-9-16(10-12-18)21(26)23-24-13-17-5-3-4-6-19(17)20(24)22/h3-12,22H,13H2,1-2H3,(H,23,26)/p+1