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

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-16-14-17-4-2-3-5-20(17)24(16)21(26)15-22-10-12-23(13-11-22)18-6-8-19(9-7-18)25(27)28/h2-9,16H,10-15H2,1H3/p+1/t16-/m0/s1