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

Systemtic Name: 3-[2,2-diphenylethanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,2-diphenylacetyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2,2-diphenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,2-diphenylacetyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,2-diphenylacetyl)-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-29(2)18-11-19-30(27-28-25-22(32-3)16-10-17-23(25)33-27)26(31)24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-10,12-17,24H,11,18-19H2,1-3H3/p+1