1-[[3-(7-chloranyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(7-chloranyl-1H-quinolin-4-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(7-chloro-1H-quinolin-4-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

InChI

InChI=1S/C22H22ClN3O2/c23-17-2-3-19-18(5-8-25-20(19)12-17)15-1-4-21(27)16(11-15)13-26-9-6-14(7-10-26)22(24)28/h1-5,8,11-12,14,25H,6-7,9-10,13H2,(H2,24,28)/p+1