bis[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride

Systemtic Name: bis[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium chloride Openeye Name: bis(1-benzyl-6-methoxy-tetralin-2-yl)ammonium chloride CAS Name: bis[6-methoxy-1-(phenylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ammonium chloride IUPAC Name: bis(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride Traditional Name: bis(1-benzyl-6-methoxy-tetralin-2-yl)ammonium chloride Formula: C36H40ClNO2 MolecularWeight: 554.1613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CC2)[NH2+]C3CCC4=C(C3CC5=CC=CC=C5)C=CC(=C4)OC)CC6=CC=CC=C6.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(CC2)[NH2+]C3CCC4=C(C3CC5=CC=CC=C5)C=CC(=C4)OC)CC6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C36H39NO2.ClH/c1-38-29-15-17-31-27(23-29)13-19-35(33(31)21-25-9-5-3-6-10-25)37-36-20-14-28-24-30(39-2)16-18-32(28)34(36)22-26-11-7-4-8-12-26;/h3-12,15-18,23-24,33-37H,13-14,19-22H2,1-2H3;1H