diethyl-[1-oxidanylidene-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylamino)hexan-2-yl]azanium chloride

Systemtic Name: diethyl-[1-oxidanylidene-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylamino)hexan-2-yl]azanium chloride Openeye Name: diethyl-[1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylcarbamoyl)pentyl]ammonium chloride CAS Name: diethyl-[1-oxo-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylamino)hexan-2-yl]ammonium chloride IUPAC Name: diethyl-[1-oxo-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylamino)hexan-2-yl]azanium chloride Traditional Name: diethyl-[1-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylcarbamoyl)pentyl]ammonium chloride Formula: C20H33ClN2O2 MolecularWeight: 368.94122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=C(C=C1)OCCCC2)[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCCC(C(=O)NC1=CC2=C(C=C1)OCCCC2)[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C20H32N2O2.ClH/c1-4-7-11-18(22(5-2)6-3)20(23)21-17-12-13-19-16(15-17)10-8-9-14-24-19;/h12-13,15,18H,4-11,14H2,1-3H3,(H,21,23);1H