(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ammonium Formula: C25H27ClNO4+ MolecularWeight: 440.93918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCCO3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCCO3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26ClNO4/c1-28-23-13-19(8-9-22(23)31-17-18-6-3-2-4-7-18)15-27-16-20-12-21(26)25-24(14-20)29-10-5-11-30-25/h2-4,6-9,12-14,27H,5,10-11,15-17H2,1H3/p+1