4-(7-chloranyl-1H-quinolin-4-ylidene)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(7-chloranyl-1H-quinolin-4-ylidene)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-chloro-1H-quinolin-4-ylidene)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C22H24ClN2O+ MolecularWeight: 367.89176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=C3C=CNC4=C3C=CC(=C4)Cl)C=CC2=O

InChI

InChI=1S/C22H23ClN2O/c1-15-3-2-10-25(13-15)14-17-11-16(4-7-22(17)26)19-8-9-24-21-12-18(23)5-6-20(19)21/h4-9,11-12,15,24H,2-3,10,13-14H2,1H3/p+1/t15-/m0/s1