4-(1,3-benzodioxol-5-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1H-imidazol-3-ium-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-(3-pyridylmethyl)-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-(3-pyridinylmethyl)-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-methyl-1H-imidazol-3-ium-2-yl]-(3-pyridylmethyl)amine Formula: C17H17N4O2+ MolecularWeight: 309.34248

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=CN=CC=C4

Isomeric SMILES

C[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=CN=CC=C4

InChI

InChI=1S/C17H16N4O2/c1-21-14(13-4-5-15-16(7-13)23-11-22-15)10-20-17(21)19-9-12-3-2-6-18-8-12/h2-8,10H,9,11H2,1H3,(H,19,20)/p+1