[(E)-2-[3-methanoyl-5-nitro-1-(phenylmethyl)indol-2-yl]ethenyl]-dimethyl-azanium

Systemtic Name: [(E)-2-[3-methanoyl-5-nitro-1-(phenylmethyl)indol-2-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-(1-benzyl-3-formyl-5-nitro-indol-2-yl)vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[3-formyl-5-nitro-1-(phenylmethyl)-2-indolyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-(1-benzyl-3-formyl-5-nitroindol-2-yl)ethenyl]-dimethylazanium Traditional Name: [(E)-2-(1-benzyl-3-formyl-5-nitro-indol-2-yl)vinyl]-dimethyl-ammonium Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C[NH+](C)/C=C/C1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H19N3O3/c1-21(2)11-10-20-18(14-24)17-12-16(23(25)26)8-9-19(17)22(20)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3/p+1/b11-10+