2-[3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-6-methyl-4-oxo-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-6-methyl-4-oxo-2-phenethyl-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-6-methyl-4-oxo-2-phenethylpyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethylcarbamoyl)-4-keto-6-methyl-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H30N4O2S/c1-19-17-23(32)26(27(33)28-18-25-29-21-11-7-8-12-24(21)34-25)22(31(19)16-15-30(2)3)14-13-20-9-5-4-6-10-20/h4-12,17H,13-16,18H2,1-3H3,(H,28,33)/p+1