5-[(2S)-3-[(4-bromophenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 5-[(2S)-3-[(4-bromophenyl)amino]-2-oxidanyl-propyl]-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 5-[(2S)-3-(4-bromoanilino)-2-hydroxy-propyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 5-[(2S)-3-(4-bromoanilino)-2-hydroxypropyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 5-[(2S)-3-(4-bromoanilino)-2-hydroxypropyl]-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 5-[(2S)-3-(4-bromoanilino)-2-hydroxy-propyl]-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H20BrN4O2+ MolecularWeight: 452.3238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)CC(CNC4=CC=C(C=C4)Br)O

Isomeric SMILES

CC1=CC(=O)[N+]2=C3C=CC=CC3N(C2=C1C#N)C[C@H](CNC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H20BrN4O2/c1-14-10-21(29)27-20-5-3-2-4-19(20)26(22(27)18(14)11-24)13-17(28)12-25-16-8-6-15(23)7-9-16/h2-10,17,19,25,28H,12-13H2,1H3/q+1/t17-,19?/m0/s1