(Z)-1,3-benzodioxol-5-ylmethylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium

Systemtic Name: (Z)-1,3-benzodioxol-5-ylmethylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Openeye Name: (Z)-1,3-benzodioxol-5-ylmethylene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium CAS Name: (Z)-1,3-benzodioxol-5-ylmethylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium IUPAC Name: (Z)-1,3-benzodioxol-5-ylmethylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)azanium Traditional Name: (Z)-piperonylidene-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N[NH+]=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=NCC1)N/[NH+]=C\C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O2/c1-2-4-14(15-7-3-1)17-16-9-11-5-6-12-13(8-11)19-10-18-12/h5-6,8-9H,1-4,7,10H2,(H,15,17)/p+1/b16-9-