(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-homoveratryl-ammonium Formula: C25H29ClNO4+ MolecularWeight: 442.95506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C25H28ClNO4/c1-28-22-10-9-18(14-23(22)29-2)11-12-27-16-20-13-21(26)25(24(15-20)30-3)31-17-19-7-5-4-6-8-19/h4-10,13-15,27H,11-12,16-17H2,1-3H3/p+1