2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(Z)-3-(4-nitrophenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)/C=C\C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-23(2)12-13-24(21-22-18-10-9-17(29-3)14-19(18)30-21)20(26)11-6-15-4-7-16(8-5-15)25(27)28/h4-11,14H,12-13H2,1-3H3/p+1/b11-6-