1-[2-(3-azanylpropoxy)-4-ethyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea

Systemtic Name: 1-[2-(3-azanylpropoxy)-4-ethyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea Openeye Name: 1-[2-(3-aminopropoxy)-4-ethyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea CAS Name: 1-[2-(3-aminopropoxy)-4-ethylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea IUPAC Name: 1-[2-(3-aminopropoxy)-4-ethylphenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Traditional Name: 1-[2-(3-aminopropoxy)-4-ethyl-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-])OCCCN

Isomeric SMILES

CCC1=CC(=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3[N+](=N2)[O-])OCCCN

InChI

InChI=1S/C19H22N6O3/c1-2-13-8-9-15(17(12-13)28-11-5-10-20)22-19(26)23-18-21-14-6-3-4-7-16(14)25(27)24-18/h3-4,6-9,12H,2,5,10-11,20H2,1H3,(H2,21,22,23,24,26)