2-[4-[[(3-chloranyl-5-ethyl-pyrazolo[1,5-a]pyrimidin-8-ium-8-yl)-methyl-amino]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[(3-chloranyl-5-ethyl-pyrazolo[1,5-a]pyrimidin-8-ium-8-yl)-methyl-amino]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[(3-chloro-5-ethyl-pyrazolo[1,5-a]pyrimidin-8-ium-8-yl)-methyl-amino]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[(3-chloro-5-ethyl-8-pyrazolo[1,5-a]pyrimidin-8-iumyl)-methylamino]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[(3-chloro-5-ethylpyrazolo[1,5-a]pyrimidin-8-ium-8-yl)-methylamino]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(3-chloro-5-ethyl-pyrazolo[1,5-a]pyrimidin-8-ium-8-yl)-methyl-amino]methyl]phenyl]benzonitrile Formula: C23H21ClN5+ MolecularWeight: 402.89934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=N[N+]2(C=C1)N(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)Cl

Isomeric SMILES

CCC1=NC2=C(C=N[N+]2(C=C1)N(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C23H21ClN5/c1-3-20-12-13-29(23(27-20)22(24)15-26-29)28(2)16-17-8-10-18(11-9-17)21-7-5-4-6-19(21)14-25/h4-13,15H,3,16H2,1-2H3/q+1