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

Systemtic Name: 1-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H29ClN5O+ MolecularWeight: 475.00506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC)C#N

InChI

InChI=1S/C27H28ClN5O/c1-3-6-19-16-26(33-24-8-5-4-7-23(24)30-27(33)22(19)17-29)32-13-11-31(12-14-32)18-20-15-21(28)9-10-25(20)34-2/h4-5,7-10,15-16H,3,6,11-14,18H2,1-2H3/p+1