6-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one

Systemtic Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one Openeye Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one CAS Name: 6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylchromen-2-one Traditional Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-coumarin Formula: C15H19N2O4S+ MolecularWeight: 323.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C15H18N2O4S/c1-11-3-4-13-12(9-11)10-14(15(18)21-13)22(19,20)17-7-5-16(2)6-8-17/h3-4,9-10H,5-8H2,1-2H3/p+1