N-[(E)-2-(3,3-dimethyl-5-nitro-1-propyl-indol-1-ium-2-yl)ethenyl]aniline

Systemtic Name: N-[(E)-2-(3,3-dimethyl-5-nitro-1-propyl-indol-1-ium-2-yl)ethenyl]aniline Openeye Name: N-[(E)-2-(3,3-dimethyl-5-nitro-1-propyl-indol-1-ium-2-yl)vinyl]aniline CAS Name: N-[(E)-2-(3,3-dimethyl-5-nitro-1-propyl-2-indol-1-iumyl)ethenyl]aniline IUPAC Name: N-[(E)-2-(3,3-dimethyl-5-nitro-1-propylindol-1-ium-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(3,3-dimethyl-5-nitro-1-propyl-indol-1-ium-2-yl)vinyl]-phenyl-amine Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C=CNC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)/C=C/NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-4-14-23-19-11-10-17(24(25)26)15-18(19)21(2,3)20(23)12-13-22-16-8-6-5-7-9-16/h5-13,15H,4,14H2,1-3H3/p+1