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

Systemtic Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C17H31N4O3S+ MolecularWeight: 371.51804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O3S/c1-13(2)21-14(3)11-16(15(21)4)17(22)12-19-7-9-20(10-8-19)25(23,24)18(5)6/h11,13H,7-10,12H2,1-6H3/p+1