2-[3-[bis(azanyl)methylideneamino]-2-oxidanylidene-indol-1-ium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[3-[bis(azanyl)methylideneamino]-2-oxidanylidene-indol-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-(3-guanidino-2-oxo-indol-1-ium-1-yl)-N-(m-tolyl)acetamide CAS Name: 2-[3-(diaminomethylideneamino)-2-oxo-1-indol-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[3-(diaminomethylideneamino)-2-oxoindol-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-(3-guanidino-2-keto-indol-1-ium-1-yl)-N-(m-tolyl)acetamide Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[N+]2=C3C=CC=CC3=C(C2=O)N=C(N)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[N+]2=C3C=CC=CC3=C(C2=O)N=C(N)N

InChI

InChI=1S/C18H17N5O2/c1-11-5-4-6-12(9-11)21-15(24)10-23-14-8-3-2-7-13(14)16(17(23)25)22-18(19)20/h2-9H,10H2,1H3,(H4,19,20,21,24)/p+1