N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

Systemtic Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine Openeye Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine CAS Name: N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine IUPAC Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: 2-pyrrolidin-1-ium-1-ylethyl-[5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C18H26N5O3+ MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)NCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CN=NC(=N2)NCC[NH+]3CCCC3

InChI

InChI=1S/C18H25N5O3/c1-24-15-10-13(11-16(25-2)17(15)26-3)14-12-20-22-18(21-14)19-6-9-23-7-4-5-8-23/h10-12H,4-9H2,1-3H3,(H,19,21,22)/p+1