1-[[1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]urea

Systemtic Name: 1-[[1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]urea Openeye Name: [1-[(1-pyridin-1-ium-4-yl-4-piperidyl)methyl]triazol-4-yl]methylurea CAS Name: [1-[[1-(4-pyridin-1-iumyl)-4-piperidinyl]methyl]-4-triazolyl]methylurea IUPAC Name: [1-[(1-pyridin-1-ium-4-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea Traditional Name: [1-[(1-pyridin-1-ium-4-yl-4-piperidyl)methyl]triazol-4-yl]methylurea Formula: C15H22N7O+ MolecularWeight: 316.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=C(N=N2)CNC(=O)N)C3=CC=[NH+]C=C3

Isomeric SMILES

C1CN(CCC1CN2C=C(N=N2)CNC(=O)N)C3=CC=[NH+]C=C3

InChI

InChI=1S/C15H21N7O/c16-15(23)18-9-13-11-22(20-19-13)10-12-3-7-21(8-4-12)14-1-5-17-6-2-14/h1-2,5-6,11-12H,3-4,7-10H2,(H3,16,18,23)/p+1