3-(3-chloranylpropyl)-7,8-dimethoxy-3-oxidanidyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium

Systemtic Name: 3-(3-chloranylpropyl)-7,8-dimethoxy-3-oxidanidyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium Openeye Name: 3-(3-chloropropyl)-7,8-dimethoxy-3-oxido-1,2,4,5-tetrahydro-3-benzazepin-3-ium CAS Name: 3-(3-chloropropyl)-7,8-dimethoxy-3-oxido-1,2,4,5-tetrahydro-3-benzazepin-3-ium IUPAC Name: 3-(3-chloropropyl)-7,8-dimethoxy-3-oxido-1,2,4,5-tetrahydro-3-benzazepin-3-ium Traditional Name: 3-(3-chloropropyl)-7,8-dimethoxy-3-oxido-1,2,4,5-tetrahydro-3-benzazepin-3-ium Formula: C15H22ClNO3 MolecularWeight: 299.79308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC[N+](CCC2=C1)(CCCCl)[O-])OC

Isomeric SMILES

COC1=C(C=C2CC[N+](CCC2=C1)(CCCCl)[O-])OC

InChI

InChI=1S/C15H22ClNO3/c1-19-14-10-12-4-8-17(18,7-3-6-16)9-5-13(12)11-15(14)20-2/h10-11H,3-9H2,1-2H3