2-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]propanedinitrile Openeye Name: 2-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]propanedinitrile CAS Name: 2-[1-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3-indolylidene]propanedinitrile IUPAC Name: 2-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxoindol-3-ylidene]propanedinitrile Traditional Name: 2-[2-keto-1-[(4-methylpiperidin-1-ium-1-yl)methyl]indolin-3-ylidene]malononitrile Formula: C18H19N4O+ MolecularWeight: 307.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O

Isomeric SMILES

CC1CC[NH+](CC1)CN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O

InChI

InChI=1S/C18H18N4O/c1-13-6-8-21(9-7-13)12-22-16-5-3-2-4-15(16)17(18(22)23)14(10-19)11-20/h2-5,13H,6-9,12H2,1H3/p+1