N,N-diethyl-4-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-sulfonamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)C(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)[C@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H28N4O3S/c1-4-22(5-2)27(25,26)23-12-10-21(11-13-23)15(3)19(24)17-14-20-18-9-7-6-8-16(17)18/h6-9,14-15,20H,4-5,10-13H2,1-3H3/p+1/t15-/m1/s1