1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-mesylpiperazin-1-ium-1-yl)ethanone Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H25N3O3S/c1-12-10-15(13(2)19(12)14-4-5-14)16(20)11-17-6-8-18(9-7-17)23(3,21)22/h10,14H,4-9,11H2,1-3H3/p+1