3-methyl-1-(3-oxidanylpropylamino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-methyl-1-(3-oxidanylpropylamino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-1-(3-hydroxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3-hydroxypropylamino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-1-(3-hydroxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-1-(3-hydroxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCCO)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCCCO)C#N

InChI

InChI=1S/C23H22N4O/c1-16-18(14-17-8-3-2-4-9-17)22(25-12-7-13-28)27-21-11-6-5-10-20(21)26-23(27)19(16)15-24/h2-6,8-11,28H,7,12-14H2,1H3,(H,25,26)/p+1