N-(1H-1,2,4-triazol-4-ium-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine

Systemtic Name: N-(1H-1,2,4-triazol-4-ium-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine Openeye Name: N-(1H-1,2,4-triazol-4-ium-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine CAS Name: N-(1H-1,2,4-triazol-4-ium-4-yl)-1-spiro[4H-isoquinoline-3,1'-cyclohexane]amine IUPAC Name: N-(1H-1,2,4-triazol-4-ium-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine Traditional Name: spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl(1H-1,2,4-triazol-4-ium-4-yl)amine Formula: C16H20N5+ MolecularWeight: 282.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)N[N+]4=CNN=C4

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)N[N+]4=CNN=C4

InChI

InChI=1S/C16H19N5/c1-4-8-16(9-5-1)10-13-6-2-3-7-14(13)15(19-16)20-21-11-17-18-12-21/h2-3,6-7,11-12H,1,4-5,8-10H2,(H,19,20)/p+1