4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S/c1-13-11-16(14(2)21(13)15-5-6-15)17(22)12-19-7-9-20(10-8-19)25(23,24)18(3)4/h11,15H,5-10,12H2,1-4H3/p+1