8-ethoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one

Systemtic Name: 8-ethoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one Openeye Name: 8-ethoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-chromen-2-one CAS Name: 8-ethoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-benzopyran-2-one IUPAC Name: 8-ethoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylchromen-2-one Traditional Name: 8-ethoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-coumarin Formula: C16H21N2O5S+ MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N2O5S/c1-3-22-13-6-4-5-12-11-14(16(19)23-15(12)13)24(20,21)18-9-7-17(2)8-10-18/h4-6,11H,3,7-10H2,1-2H3/p+1