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

Systemtic Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxyphenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-[oxo-(3-phenoxyphenyl)methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(6-methyl-1,3-benzothiazol-2-yl)-(3-phenoxybenzoyl)amino]propyl]ammonium Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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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)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-19-13-14-23-24(17-19)32-26(27-23)29(16-8-15-28(2)3)25(30)20-9-7-12-22(18-20)31-21-10-5-4-6-11-21/h4-7,9-14,17-18H,8,15-16H2,1-3H3/p+1