3-(azepan-1-ium-1-ylmethyl)-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-oxidanyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-hydroxy-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-hydroxy-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-hydroxy-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-hydroxy-4-quinolone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(NC3=CC=CC=C3C2=O)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(NC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C16H20N2O2/c19-15-12-7-3-4-8-14(12)17-16(20)13(15)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2,(H2,17,19,20)/p+1