2-[(2S)-2-(1H-indol-3-yl)-3-nitro-propyl]-1,3,3-trimethyl-indol-1-ium

Systemtic Name: 2-[(2S)-2-(1H-indol-3-yl)-3-nitro-propyl]-1,3,3-trimethyl-indol-1-ium Openeye Name: 2-[(2S)-2-(1H-indol-3-yl)-3-nitro-propyl]-1,3,3-trimethyl-indol-1-ium CAS Name: 2-[(2S)-2-(1H-indol-3-yl)-3-nitropropyl]-1,3,3-trimethylindol-1-ium IUPAC Name: 2-[(2S)-2-(1H-indol-3-yl)-3-nitropropyl]-1,3,3-trimethylindol-1-ium Traditional Name: 2-[(2S)-2-(1H-indol-3-yl)-3-nitro-propyl]-1,3,3-trimethyl-indol-1-ium Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1CC(C[N+](=O)[O-])C3=CNC4=CC=CC=C43)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C[C@H](C[N+](=O)[O-])C3=CNC4=CC=CC=C43)C)C

InChI

InChI=1S/C22H24N3O2/c1-22(2)18-9-5-7-11-20(18)24(3)21(22)12-15(14-25(26)27)17-13-23-19-10-6-4-8-16(17)19/h4-11,13,15,23H,12,14H2,1-3H3/q+1/t15-/m1/s1