2-[[(E,3E)-1-azaniumyl-2-cyano-3-(3-oxidanylidene-1H-indol-2-ylidene)prop-1-enyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(E,3E)-1-azaniumyl-2-cyano-3-(3-oxidanylidene-1H-indol-2-ylidene)prop-1-enyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(E,3E)-1-azaniumyl-2-cyano-3-(3-oxoindolin-2-ylidene)prop-1-enyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(E,3E)-1-ammonio-2-cyano-3-(3-oxo-1H-indol-2-ylidene)prop-1-enyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(E,3E)-1-azaniumyl-2-cyano-3-(3-oxo-1H-indol-2-ylidene)prop-1-enyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(E,3E)-1-ammonio-2-cyano-3-(3-ketoindolin-2-ylidene)prop-1-enyl]amino]ethyl-diethyl-ammonium Formula: C18H25N5O+2 MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=C(C=C1C(=O)C2=CC=CC=C2N1)C#N)[NH3+]

Isomeric SMILES

CC[NH+](CC)CCN/C(=C(\C=C\1/C(=O)C2=CC=CC=C2N1)/C#N)/[NH3+]

InChI

InChI=1S/C18H23N5O/c1-3-23(4-2)10-9-21-18(20)13(12-19)11-16-17(24)14-7-5-6-8-15(14)22-16/h5-8,11,21-22H,3-4,9-10,20H2,1-2H3/p+2/b16-11+,18-13+