3-[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[5-(1-naphthyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[5-(1-naphthalenyl)-1,2,4-triazin-3-yl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[5-(1-naphthyl)-1,2,4-triazin-3-yl]piperazin-1-ium-1-yl]propionamide Formula: C20H23N6O+ MolecularWeight: 363.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N)C2=NC(=CN=N2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N)C2=NC(=CN=N2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H22N6O/c21-19(27)8-9-25-10-12-26(13-11-25)20-23-18(14-22-24-20)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,14H,8-13H2,(H2,21,27)/p+1