2-(3-azanyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl)-1-[3-tert-butyl-5-(cyclopropylmethoxymethyl)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-5-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)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-5-(cyclopropylmethoxymethyl)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-5-(cyclopropylmethoxymethyl)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-(cyclopropylmethoxymethyl)phenyl]ethanone Formula: C27H38N5O3+ MolecularWeight: 480.62232

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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(=CC(=C3)C(C)(C)C)COCC4CC4

Isomeric SMILES

CCC(CC)OC1=N[N+]2=C(C=C1)N(N=C2N)CC(=O)C3=CC(=CC(=C3)C(C)(C)C)COCC4CC4

InChI

InChI=1S/C27H38N5O3/c1-6-22(7-2)35-24-10-11-25-31(30-26(28)32(25)29-24)15-23(33)20-12-19(17-34-16-18-8-9-18)13-21(14-20)27(3,4)5/h10-14,18,22H,6-9,15-17H2,1-5H3,(H2,28,30)/q+1