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

Systemtic Name: 3-[2,2-diphenylethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,2-diphenylacetyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-2,2-diphenylethyl)amino]propyl]ammonium IUPAC Name: 3-[(2,2-diphenylacetyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,2-diphenylacetyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C27H30N3OS+ MolecularWeight: 444.6116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c1-20-12-10-17-23-25(20)28-27(32-23)30(19-11-18-29(2)3)26(31)24(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-10,12-17,24H,11,18-19H2,1-3H3/p+1