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

Systemtic Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H29N5O+2 MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCC[NH+]5CCOCC5)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CC4=CC=CC=C4)NCC[NH+]5CCOCC5)C#N

InChI

InChI=1S/C26H27N5O/c1-19-21(17-20-7-3-2-4-8-20)25(28-11-12-30-13-15-32-16-14-30)31-24-10-6-5-9-23(24)29-26(31)22(19)18-27/h2-10H,11-17H2,1H3,(H,28,29)/p+2