2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N3O4S/c1-15-13-19(16(2)21(15)3)20(24)14-22-9-11-23(12-10-22)28(25,26)18-7-5-17(27-4)6-8-18/h5-8,13H,9-12,14H2,1-4H3/p+1