(2S)-2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole

Systemtic Name: (2S)-2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole Openeye Name: (2S)-2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole CAS Name: (2S)-2-(3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumyl)-2,3-dihydro-1,3-benzothiazole IUPAC Name: (2S)-2-(3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole Traditional Name: (2S)-2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-2,3-dihydro-1,3-benzothiazole Formula: C23H22N3S+ MolecularWeight: 372.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)[C@H]3NC4=CC=CC=C4S3)C5=CC=CC=C5)C

InChI

InChI=1S/C23H22N3S/c1-3-25-16(2)26(18-9-5-4-6-10-18)20-14-13-17(15-21(20)25)23-24-19-11-7-8-12-22(19)27-23/h4-15,23-24H,3H2,1-2H3/q+1/t23-/m0/s1