dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-17-10-11-19-20(16-17)28-22(23-19)25(14-7-13-24(2)3)21(26)12-15-27-18-8-5-4-6-9-18/h4-6,8-11,16H,7,12-15H2,1-3H3/p+1