1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-17-15-20(18(2)24(17)13-14-28-3)21(25)16-22-9-11-23(12-10-22)29(26,27)19-7-5-4-6-8-19/h4-8,15H,9-14,16H2,1-3H3/p+1