5-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-triazin-3-amine Traditional Name: (5-phenyl-1,2,4-triazin-3-yl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C21H24N5+ MolecularWeight: 346.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=NC(=CN=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC3=NC(=CN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5/c1-2-6-19(7-3-1)20-15-23-25-21(24-20)22-14-17-8-10-18(11-9-17)16-26-12-4-5-13-26/h1-3,6-11,15H,4-5,12-14,16H2,(H,22,24,25)/p+1