N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride Traditional Name: [(E)-piperonylideneamino]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine chloride Formula: C14H17ClN3O2- MolecularWeight: 294.75668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NN=CC2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

C1CCC(=NCC1)N/N=C/C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C14H17N3O2.ClH/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);1H/p-1/b16-9+;