2-[[3-cyano-1-(3-methoxyphenyl)pyrrol-2-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-cyano-1-(3-methoxyphenyl)pyrrol-2-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-cyano-1-(3-methoxyphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-cyano-1-(3-methoxyphenyl)-2-pyrrolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-cyano-1-(3-methoxyphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-cyano-1-(3-methoxyphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(C=CN1C2=CC(=CC=C2)OC)C#N

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(C=CN1C2=CC(=CC=C2)OC)C#N

InChI

InChI=1S/C17H20N4O2/c1-20(2)10-8-19-17(22)16-13(12-18)7-9-21(16)14-5-4-6-15(11-14)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,19,22)/p+1