2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(3-nitrophenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-22(2)12-13-23(20-21-17-8-3-4-9-18(17)28-20)19(25)11-10-15-6-5-7-16(14-15)24(26)27/h3-11,14H,12-13H2,1-2H3/p+1/b11-10+