[1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-4-yl]-1,2,3-triazol-4-yl]methylazanium

Systemtic Name: [1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-4-yl]-1,2,3-triazol-4-yl]methylazanium Openeye Name: [1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-piperidyl]triazol-4-yl]methylammonium CAS Name: [1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-piperidinyl]-4-triazolyl]methylammonium IUPAC Name: [1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methylazanium Traditional Name: [1-[1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-piperidyl]triazol-4-yl]methylammonium Formula: C16H29N7+2 MolecularWeight: 319.44836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCC(CC2)N3C=C(N=N3)C[NH3+]

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC(CC2)N3C=C(N=N3)C[NH3+]

InChI

InChI=1S/C16H27N7/c1-2-3-4-16-18-10-14(19-16)11-22-7-5-15(6-8-22)23-12-13(9-17)20-21-23/h10,12,15H,2-9,11,17H2,1H3,(H,18,19)/p+2