3-(5-cyano-2-methyl-indol-1-yl)propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: 3-(5-cyano-2-methyl-indol-1-yl)propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 3-(5-cyano-2-methyl-indol-1-yl)propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 3-(5-cyano-2-methyl-1-indolyl)propyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 3-(5-cyano-2-methylindol-1-yl)propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 3-(5-cyano-2-methyl-indol-1-yl)propyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CCC[N+](C)(C)CC(=O)N3CCCC3C#N)C=CC(=C2)C#N

Isomeric SMILES

CC1=CC2=C(N1CCC[N+](C)(C)CC(=O)N3CCCC3C#N)C=CC(=C2)C#N

InChI

InChI=1S/C22H28N5O/c1-17-12-19-13-18(14-23)7-8-21(19)25(17)10-5-11-27(2,3)16-22(28)26-9-4-6-20(26)15-24/h7-8,12-13,20H,4-6,9-11,16H2,1-3H3/q+1