(2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-indolin-1-yl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-indolin-1-yl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3/c1-16(21(26)24-11-10-17-4-2-3-5-20(17)24)22-12-14-23(15-13-22)18-6-8-19(9-7-18)25(27)28/h2-9,16H,10-15H2,1H3/p+1/t16-/m1/s1