5-ethyl-8-methyl-N-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine

Systemtic Name: 5-ethyl-8-methyl-N-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine Openeye Name: 5-ethyl-8-methyl-N-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine CAS Name: 5-ethyl-8-methyl-N-[[4-[2-(2H-tetrazol-5-yl)-1-pyrrolyl]phenyl]methyl]-6-pyrazolo[1,5-a]pyrimidin-8-iumamine IUPAC Name: 5-ethyl-8-methyl-N-[[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-8-ium-6-amine Traditional Name: (5-ethyl-8-methyl-pyrazolo[1,5-a]pyrimidin-8-ium-6-yl)-[4-[2-(2H-tetrazol-5-yl)pyrrol-1-yl]benzyl]amine Formula: C21H22N9+ MolecularWeight: 400.45968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=N[N+]2(C=C1NCC3=CC=C(C=C3)N4C=CC=C4C5=NNN=N5)C

Isomeric SMILES

CCC1=NC2=CC=N[N+]2(C=C1NCC3=CC=C(C=C3)N4C=CC=C4C5=NNN=N5)C

InChI

InChI=1S/C21H22N9/c1-3-17-18(14-30(2)20(24-17)10-11-23-30)22-13-15-6-8-16(9-7-15)29-12-4-5-19(29)21-25-27-28-26-21/h4-12,14,22H,3,13H2,1-2H3,(H,25,26,27,28)/q+1