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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H29N3O4S/c1-5-24-16(2)14-20(17(24)3)21(25)15-22-10-12-23(13-11-22)29(26,27)19-8-6-18(28-4)7-9-19/h6-9,14H,5,10-13,15H2,1-4H3/p+1