3-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one

Systemtic Name: 3-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one Openeye Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-methylsulfanyl-1H-quinolin-2-one CAS Name: 3-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]methyl]-7-(methylthio)-1H-quinolin-2-one IUPAC Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-methylsulfanyl-1H-quinolin-2-one Traditional Name: 3-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-(methylthio)carbostyril Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=C(C=C4)SC)NC3=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC4=C(C=C(C=C4)SC)NC3=O

InChI

InChI=1S/C23H28N4OS/c1-3-26-10-12-27(13-11-26)20-7-5-19(6-8-20)24-16-18-14-17-4-9-21(29-2)15-22(17)25-23(18)28/h4-9,14-15,24H,3,10-13,16H2,1-2H3,(H,25,28)/p+1