4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C21H24ClN2O2S+ MolecularWeight: 403.94546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl)C

InChI

InChI=1S/C21H23ClN2O2S/c1-14-9-18-16(11-21(25)26-19(18)10-15(14)2)12-23-5-7-24(8-6-23)13-17-3-4-20(22)27-17/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1