2-(3-azanyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl)-1-[3-tert-butyl-4-(cyclopropylmethoxy)-5-(cyclopropyloxymethyl)phenyl]ethanone

Systemtic Name: 2-(3-azanyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl)-1-[3-tert-butyl-4-(cyclopropylmethoxy)-5-(cyclopropyloxymethyl)phenyl]ethanone Openeye Name: 2-[3-amino-6-(1-ethylpropoxy)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]-1-[3-tert-butyl-5-(cyclopropoxymethyl)-4-(cyclopropylmethoxy)phenyl]ethanone CAS Name: 2-(3-amino-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl)-1-[3-tert-butyl-4-(cyclopropylmethoxy)-5-(cyclopropyloxymethyl)phenyl]ethanone IUPAC Name: 2-(3-amino-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl)-1-[3-tert-butyl-4-(cyclopropylmethoxy)-5-(cyclopropyloxymethyl)phenyl]ethanone Traditional Name: 2-[3-amino-6-(1-ethylpropoxy)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]-1-[3-tert-butyl-5-(cyclopropoxymethyl)-4-(cyclopropylmethoxy)phenyl]ethanone Formula: C30H42N5O4+ MolecularWeight: 536.68558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=N[N+]2=C(C=C1)N(N=C2N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)OCC4CC4)COC5CC5

Isomeric SMILES

CCC(CC)OC1=N[N+]2=C(C=C1)N(N=C2N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)OCC4CC4)COC5CC5

InChI

InChI=1S/C30H42N5O4/c1-6-22(7-2)39-26-12-13-27-34(33-29(31)35(27)32-26)16-25(36)20-14-21(18-37-23-10-11-23)28(38-17-19-8-9-19)24(15-20)30(3,4)5/h12-15,19,22-23H,6-11,16-18H2,1-5H3,(H2,31,33)/q+1