[3-(4-butylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl-bis(2-cyanoethyl)azanium

Systemtic Name: [3-(4-butylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl-bis(2-cyanoethyl)azanium Openeye Name: [3-(4-butylphenyl)imino-2-oxo-indolin-1-yl]methyl-bis(2-cyanoethyl)ammonium CAS Name: [3-(4-butylphenyl)imino-2-oxo-1-indolyl]methyl-bis(2-cyanoethyl)ammonium IUPAC Name: [3-(4-butylphenyl)imino-2-oxoindol-1-yl]methyl-bis(2-cyanoethyl)azanium Traditional Name: [3-(4-butylphenyl)imino-2-keto-indolin-1-yl]methyl-bis(2-cyanoethyl)ammonium Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+](CCC#N)CCC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C25H27N5O/c1-2-3-8-20-11-13-21(14-12-20)28-24-22-9-4-5-10-23(22)30(25(24)31)19-29(17-6-15-26)18-7-16-27/h4-5,9-14H,2-3,6-8,17-19H2,1H3/p+1