[3-[[3-cyano-4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-ylidene]amino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[3-cyano-4-oxidanylidene-4-[(phenylmethyl)amino]butan-2-ylidene]amino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[3-(benzylamino)-2-cyano-1-methyl-3-oxo-propylidene]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[3-cyano-4-oxo-4-[(phenylmethyl)amino]butan-2-ylidene]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[4-(benzylamino)-3-cyano-4-oxobutan-2-ylidene]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[3-(benzylamino)-2-cyano-3-keto-1-methyl-propylidene]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC(C)(C)C[NH+](C)C)C(C#N)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=NCC(C)(C)C[NH+](C)C)C(C#N)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C19H28N4O/c1-15(22-13-19(2,3)14-23(4)5)17(11-20)18(24)21-12-16-9-7-6-8-10-16/h6-10,17H,12-14H2,1-5H3,(H,21,24)/p+1