2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride

Systemtic Name: 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride Openeye Name: (7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[2-(p-tolyl)ethyl]ammonium chloride CAS Name: 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ammonium chloride IUPAC Name: 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride Traditional Name: (7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[2-(p-tolyl)ethyl]ammonium chloride Formula: C20H26ClNO MolecularWeight: 331.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC[NH2+]C2CCCOC3=C2C=C(C=C3)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CC[NH2+]C2CCCOC3=C2C=C(C=C3)C.[Cl-]

InChI

InChI=1S/C20H25NO.ClH/c1-15-5-8-17(9-6-15)11-12-21-19-4-3-13-22-20-10-7-16(2)14-18(19)20;/h5-10,14,19,21H,3-4,11-13H2,1-2H3;1H