6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylchromen-2-one

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylchromen-2-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonylchromen-2-one CAS Name: 6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonylchromen-2-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonylcoumarin Formula: C20H21N2O4S+ MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C20H20N2O4S/c23-20-9-6-17-14-18(7-8-19(17)26-20)27(24,25)22-12-10-21(11-13-22)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1