3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-15-11-12-17(26-4)18-19(15)27-21(22-18)24(14-8-13-23(2)3)20(25)16-9-6-5-7-10-16/h5-7,9-12H,8,13-14H2,1-4H3/p+1