dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]propyl]ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-17-9-7-12-19-21(17)23-22(27-19)25(16-8-15-24(2)3)20(26)14-13-18-10-5-4-6-11-18/h4-7,9-14H,8,15-16H2,1-3H3/p+1/b14-13+