7-[[cyclohexyl(methyl)azaniumyl]methyl]-5-(phenylsulfanylmethyl)quinolin-8-olate

Systemtic Name: 7-[[cyclohexyl(methyl)azaniumyl]methyl]-5-(phenylsulfanylmethyl)quinolin-8-olate Openeye Name: 7-[[cyclohexyl(methyl)ammonio]methyl]-5-(phenylsulfanylmethyl)quinolin-8-olate CAS Name: 7-[[cyclohexyl(methyl)ammonio]methyl]-5-[(phenylthio)methyl]-8-quinolinolate IUPAC Name: 7-[[cyclohexyl(methyl)azaniumyl]methyl]-5-(phenylsulfanylmethyl)quinolin-8-olate Traditional Name: 7-[[cyclohexyl(methyl)ammonio]methyl]-5-[(phenylthio)methyl]quinolin-8-olate Formula: C24H28N2OS MolecularWeight: 392.55692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C2=C(C=CC=N2)C(=C1)CSC3=CC=CC=C3)[O-])C4CCCCC4

Isomeric SMILES

C[NH+](CC1=C(C2=C(C=CC=N2)C(=C1)CSC3=CC=CC=C3)[O-])C4CCCCC4

InChI

InChI=1S/C24H28N2OS/c1-26(20-9-4-2-5-10-20)16-18-15-19(17-28-21-11-6-3-7-12-21)22-13-8-14-25-23(22)24(18)27/h3,6-8,11-15,20,27H,2,4-5,9-10,16-17H2,1H3