1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-[(1-pyrazin-2-yl-4-piperidyl)methyl]triazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[1-[[1-(2-pyrazinyl)-4-piperidinyl]methyl]-4-triazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-[(1-pyrazin-2-yl-4-piperidyl)methyl]triazol-4-yl]methyl]azepan-1-ium Formula: C19H30N7+ MolecularWeight: 356.4884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CN(N=N2)CC3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CN(N=N2)CC3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C19H29N7/c1-2-4-10-24(9-3-1)15-18-16-26(23-22-18)14-17-5-11-25(12-6-17)19-13-20-7-8-21-19/h7-8,13,16-17H,1-6,9-12,14-15H2/p+1