1-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-3-(1-propyl-1,2,4-triazol-3-yl)urea

Systemtic Name: 1-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-3-(1-propyl-1,2,4-triazol-3-yl)urea Openeye Name: 1-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea CAS Name: 1-[1-(1-azepan-1-iumyl)-2-methylpropan-2-yl]-3-(1-propyl-1,2,4-triazol-3-yl)urea IUPAC Name: 1-[1-(azepan-1-ium-1-yl)-2-methylpropan-2-yl]-3-(1-propyl-1,2,4-triazol-3-yl)urea Traditional Name: 1-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea Formula: C16H31N6O+ MolecularWeight: 323.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC(=N1)NC(=O)NC(C)(C)C[NH+]2CCCCCC2

Isomeric SMILES

CCCN1C=NC(=N1)NC(=O)NC(C)(C)C[NH+]2CCCCCC2

InChI

InChI=1S/C16H30N6O/c1-4-9-22-13-17-14(20-22)18-15(23)19-16(2,3)12-21-10-7-5-6-8-11-21/h13H,4-12H2,1-3H3,(H2,18,19,20,23)/p+1