1-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H25ClN5O+ MolecularWeight: 446.9519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC)C#N

InChI

InChI=1S/C25H24ClN5O/c1-17-13-24(31-22-6-4-3-5-21(22)28-25(31)20(17)15-27)30-11-9-29(10-12-30)16-18-14-19(26)7-8-23(18)32-2/h3-8,13-14H,9-12,16H2,1-2H3/p+1