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

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]ethyl]ammonium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-16-8-7-11-18-20(16)22-21(26-18)24(15-14-23(2)3)19(25)13-12-17-9-5-4-6-10-17/h4-13H,14-15H2,1-3H3/p+1/b13-12+