3-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[(5-amino-1-benzyl-triazole-4-carbonyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[[5-amino-1-(phenylmethyl)-4-triazolyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5-amino-1-benzyltriazole-4-carbonyl)amino]propyl-diethylazanium Traditional Name: 3-[(5-amino-1-benzyl-triazole-4-carbonyl)amino]propyl-diethyl-ammonium Formula: C17H27N6O+ MolecularWeight: 331.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H26N6O/c1-3-22(4-2)12-8-11-19-17(24)15-16(18)23(21-20-15)13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13,18H2,1-2H3,(H,19,24)/p+1