2-[5-methyl-2-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)indol-3-ylidene]propanedinitrile

Systemtic Name: 2-[5-methyl-2-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)indol-3-ylidene]propanedinitrile Openeye Name: 2-[5-methyl-2-oxo-1-(2-piperidin-1-ium-1-ylethyl)indolin-3-ylidene]propanedinitrile CAS Name: 2-[5-methyl-2-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-indolylidene]propanedinitrile IUPAC Name: 2-[5-methyl-2-oxo-1-(2-piperidin-1-ium-1-ylethyl)indol-3-ylidene]propanedinitrile Traditional Name: 2-[2-keto-5-methyl-1-(2-piperidin-1-ium-1-ylethyl)indolin-3-ylidene]malononitrile Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=C(C#N)C#N)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=C(C#N)C#N)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H20N4O/c1-14-5-6-17-16(11-14)18(15(12-20)13-21)19(24)23(17)10-9-22-7-3-2-4-8-22/h5-6,11H,2-4,7-10H2,1H3/p+1