5-(3,4-dimethoxyphenyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,4-triazin-3-amine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,4-triazin-3-amine Openeye Name: 5-(3,4-dimethoxyphenyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,4-triazin-3-amine CAS Name: 5-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2,4-triazin-3-amine Traditional Name: [5-(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]-methyl-(4-morpholin-4-ium-4-ylbutyl)amine Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC[NH+]1CCOCC1)C2=NC(=CN=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCC[NH+]1CCOCC1)C2=NC(=CN=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H29N5O3/c1-24(8-4-5-9-25-10-12-28-13-11-25)20-22-17(15-21-23-20)16-6-7-18(26-2)19(14-16)27-3/h6-7,14-15H,4-5,8-13H2,1-3H3/p+1