1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine

Systemtic Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine Openeye Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine CAS Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine IUPAC Name: 1-(4H-1,3-benzodioxin-6-yl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine Traditional Name: 4H-1,3-benzodioxin-6-ylmethyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC4=C(C=C3)OCOC4)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC4=C(C=C3)OCOC4)C)C

InChI

InChI=1S/C21H23N3O2/c1-21(2)17-6-4-5-7-18(17)24(3)20(21)12-23-22-11-15-8-9-19-16(10-15)13-25-14-26-19/h4-10,12H,11,13-14H2,1-3H3/p+1