3-[2-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propylazanium

Systemtic Name: 3-[2-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propylazanium Openeye Name: 3-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propylammonium CAS Name: 3-[2-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-6-yl]propylammonium IUPAC Name: 3-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propylazanium Traditional Name: 3-[2-keto-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propylammonium Formula: C17H25N3O+2 MolecularWeight: 287.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC3=C(C=CC(=C3)CCC[NH3+])NC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC3=C(C=CC(=C3)CCC[NH3+])NC2=O

InChI

InChI=1S/C17H23N3O/c18-7-3-4-13-5-6-16-14(10-13)11-15(17(21)19-16)12-20-8-1-2-9-20/h5-6,10-11H,1-4,7-9,12,18H2,(H,19,21)/p+2