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

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H29FN5O+ MolecularWeight: 458.550463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)CC5=CC(=C(C=C5)OC)F

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)CC5=CC(=C(C=C5)OC)F

InChI

InChI=1S/C27H28FN5O/c1-3-6-20-16-26(33-24-8-5-4-7-23(24)30-27(33)21(20)17-29)32-13-11-31(12-14-32)18-19-9-10-25(34-2)22(28)15-19/h4-5,7-10,15-16H,3,6,11-14,18H2,1-2H3/p+1