2-(1,3-benzodioxol-5-yl)ethyl-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-phenyl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-phenyltriazol-4-yl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-phenyl-4-triazolyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-phenyltriazol-4-yl)methyl]azanium Traditional Name: homopiperonyl-[(2-phenyltriazol-4-yl)methyl]ammonium Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2/c1-2-4-16(5-3-1)22-20-12-15(21-22)11-19-9-8-14-6-7-17-18(10-14)24-13-23-17/h1-7,10,12,19H,8-9,11,13H2/p+1