4-pyrrolidin-1-yl-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidin-1-ium

Systemtic Name: 4-pyrrolidin-1-yl-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidin-1-ium Openeye Name: 4-pyrrolidin-1-yl-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidin-1-ium CAS Name: 4-(1-pyrrolidinyl)-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-pyrrolidin-1-yl-1-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidin-1-ium Traditional Name: 4-pyrrolidino-1-[3-(1H-1,2,4-triazol-5-yl)benzyl]piperidin-1-ium Formula: C18H26N5+ MolecularWeight: 312.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=NC=NN4

Isomeric SMILES

C1CCN(C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=NC=NN4

InChI

InChI=1S/C18H25N5/c1-2-9-23(8-1)17-6-10-22(11-7-17)13-15-4-3-5-16(12-15)18-19-14-20-21-18/h3-5,12,14,17H,1-2,6-11,13H2,(H,19,20,21)/p+1