4-(4-butyl-1,2,3-triazol-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: 4-(4-butyl-1,2,3-triazol-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium Openeye Name: 4-(4-butyltriazol-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium CAS Name: 4-(4-butyl-1-triazolyl)-1-[(2,3-dimethyl-4-imidazolyl)methyl]piperidin-1-ium IUPAC Name: 4-(4-butyltriazol-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium Traditional Name: 4-(4-butyltriazol-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium Formula: C17H29N6+ MolecularWeight: 317.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=C(N3C)C

Isomeric SMILES

CCCCC1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=C(N3C)C

InChI

InChI=1S/C17H28N6/c1-4-5-6-15-12-23(20-19-15)16-7-9-22(10-8-16)13-17-11-18-14(2)21(17)3/h11-12,16H,4-10,13H2,1-3H3/p+1