1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethanone Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-15-13-16-5-2-3-6-17(16)23(15)19(24)14-21-8-10-22(11-9-21)20(25)18-7-4-12-26-18/h2-7,12,15H,8-11,13-14H2,1H3/p+1/t15-/m0/s1