(2Z)-2-(3-azanylisoindol-1-ylidene)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2Z)-2-(3-azanylisoindol-1-ylidene)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2Z)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propanenitrile CAS Name: (2Z)-2-(3-amino-1-isoindolylidene)-3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropanenitrile IUPAC Name: (2Z)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropanenitrile Traditional Name: (2Z)-2-(3-aminoisoindol-1-ylidene)-3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propionitrile Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(=C2C3=CC=CC=C3C(=N2)N)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C(=C\2/C3=CC=CC=C3C(=N2)N)/C#N

InChI

InChI=1S/C17H19N5O/c1-2-21-7-9-22(10-8-21)17(23)14(11-18)15-12-5-3-4-6-13(12)16(19)20-15/h3-6H,2,7-10H2,1H3,(H2,19,20)/p+1/b15-14-