2,8-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 2,8-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 2,8-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 2,8-dimethyl-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 2,8-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 2,8-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4-quinolone Formula: C16H21N2O+ MolecularWeight: 257.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CCCC3)C

InChI

InChI=1S/C16H20N2O/c1-11-6-5-7-13-15(11)17-12(2)14(16(13)19)10-18-8-3-4-9-18/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)/p+1