[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]azanium

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[3-(4-phenyl-1-imidazolyl)propyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[3-(4-phenylimidazol-1-yl)propyl]ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C=C(N=C1)C2=CC=CC=C2)CC(=O)N3CCCC3C#N

Isomeric SMILES

C[N+](C)(CCCN1C=C(N=C1)C2=CC=CC=C2)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C21H28N5O/c1-26(2,16-21(27)25-12-6-10-19(25)14-22)13-7-11-24-15-20(23-17-24)18-8-4-3-5-9-18/h3-5,8-9,15,17,19H,6-7,10-13,16H2,1-2H3/q+1