6-methoxy-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 6-methoxy-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-methoxy-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 6-methoxy-2-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 6-methoxy-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-methoxy-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4-quinolone Formula: C21H23N2O2+ MolecularWeight: 335.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-25-16-9-10-19-17(13-16)21(24)18(14-23-11-5-6-12-23)20(22-19)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)/p+1