3-[3-(2-cyanopropyl)-2,5-bis(oxidanylidene)-4-(1-phenylpropyl)pyrrolidin-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[3-(2-cyanopropyl)-2,5-bis(oxidanylidene)-4-(1-phenylpropyl)pyrrolidin-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[3-(2-cyanopropyl)-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl]propyl-trimethyl-ammonium CAS Name: 3-[3-(2-cyanopropyl)-2,5-dioxo-4-(1-phenylpropyl)-1-pyrrolidinyl]propyl-trimethylammonium IUPAC Name: 3-[3-(2-cyanopropyl)-2,5-dioxo-4-(1-phenylpropyl)pyrrolidin-1-yl]propyl-trimethylazanium Traditional Name: 3-[3-(2-cyanopropyl)-2,5-diketo-4-(1-phenylpropyl)pyrrolidino]propyl-trimethyl-ammonium Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(=O)N(C1=O)CCC[N+](C)(C)C)CC(C)C#N)C2=CC=CC=C2

Isomeric SMILES

CCC(C1C(C(=O)N(C1=O)CCC[N+](C)(C)C)CC(C)C#N)C2=CC=CC=C2

InChI

InChI=1S/C23H34N3O2/c1-6-19(18-11-8-7-9-12-18)21-20(15-17(2)16-24)22(27)25(23(21)28)13-10-14-26(3,4)5/h7-9,11-12,17,19-21H,6,10,13-15H2,1-5H3/q+1