(2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

Systemtic Name: (2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Openeye Name: (2S)-1-[(2S)-2-methylindolin-1-yl]-2-(3-vinylbenzimidazol-1-ium-1-yl)propan-1-one CAS Name: (2S)-2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-propanone IUPAC Name: (2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one Traditional Name: (2S)-1-[(2S)-2-methylindolin-1-yl]-2-(3-vinylbenzimidazol-1-ium-1-yl)propan-1-one Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)[N+]3=CN(C4=CC=CC=C43)C=C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)[N+]3=CN(C4=CC=CC=C43)C=C

InChI

InChI=1S/C21H22N3O/c1-4-22-14-23(20-12-8-7-11-19(20)22)16(3)21(25)24-15(2)13-17-9-5-6-10-18(17)24/h4-12,14-16H,1,13H2,2-3H3/q+1/t15-,16-/m0/s1