1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H30FN5O+2 MolecularWeight: 459.558403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=C(C=CC(=C5)F)OC

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=C(C=CC(=C5)F)OC

InChI

InChI=1S/C27H28FN5O/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+2