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

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

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)CC5=CC(=C(C=C5)OC)F

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)CC5=CC(=C(C=C5)OC)F

InChI

InChI=1S/C27H28FN5O/c1-4-20-18(2)21(16-29)26-30-23-7-5-6-8-24(23)33(26)27(20)32-13-11-31(12-14-32)17-19-9-10-25(34-3)22(28)15-19/h5-10,15H,4,11-14,17H2,1-3H3/p+1