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

Systemtic Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-[2-(4-morpholin-4-iumyl)ethylamino]-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-2-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C22H29N5O+2 MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+]4CCOCC4

Isomeric SMILES

CCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N5O/c1-3-6-17-16(2)18(15-23)22-25-19-7-4-5-8-20(19)27(22)21(17)24-9-10-26-11-13-28-14-12-26/h4-5,7-8H,3,6,9-14H2,1-2H3,(H,24,25)/p+2