6-methyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-4-olate

Systemtic Name: 6-methyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-4-olate Openeye Name: 6-methyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-4-olate CAS Name: 6-methyl-2-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-4-quinolinolate IUPAC Name: 6-methyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-4-olate Traditional Name: 6-methyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)quinolin-4-olate Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2[O-])C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2[O-])C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O/c1-15-9-10-19-17(13-15)21(24)18(14-23-11-5-6-12-23)20(22-19)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)