2-butyl-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-butyl-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 2-butyl-1-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-butyl-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-butyl-1-[4-(4-fluorobenzyl)piperazino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C28H31FN5+ MolecularWeight: 456.577643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H30FN5/c1-3-4-7-23-20(2)24(18-30)27-31-25-8-5-6-9-26(25)34(27)28(23)33-16-14-32(15-17-33)19-21-10-12-22(29)13-11-21/h5-6,8-13H,3-4,7,14-17,19H2,1-2H3/p+1