(2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-15-21(19-5-3-4-6-20(19)23-15)22(27)16(2)24-11-13-25(14-12-24)17-7-9-18(10-8-17)26(28)29/h3-10,16,23H,11-14H2,1-2H3/p+1/t16-/m0/s1