2-[[3-cyano-1-(2,5-dimethylphenyl)pyrrol-2-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-cyano-1-(2,5-dimethylphenyl)pyrrol-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-cyano-1-(2,5-dimethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-cyano-1-(2,5-dimethylphenyl)-2-pyrrolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-cyano-1-(2,5-dimethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-cyano-1-(2,5-dimethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CC(=C2C(=O)NCC[NH+](C)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CC(=C2C(=O)NCC[NH+](C)C)C#N

InChI

InChI=1S/C18H22N4O/c1-13-5-6-14(2)16(11-13)22-9-7-15(12-19)17(22)18(23)20-8-10-21(3)4/h5-7,9,11H,8,10H2,1-4H3,(H,20,23)/p+1