7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium

Systemtic Name: 7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium Openeye Name: 7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium CAS Name: 7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium IUPAC Name: 7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium Traditional Name: 7,8-diethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CC[NH2+]CCC2=C1)OCC

Isomeric SMILES

CCOC1=C(C=C2CC[NH2+]CCC2=C1)OCC

InChI

InChI=1S/C14H21NO2/c1-3-16-13-9-11-5-7-15-8-6-12(11)10-14(13)17-4-2/h9-10,15H,3-8H2,1-2H3/p+1