1,3-benzodioxol-5-ylmethyl-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-piperonyl-ammonium Formula: C23H23ClNO4+ MolecularWeight: 412.88602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22ClNO4/c1-26-22-11-18(9-19(24)23(22)27-14-16-5-3-2-4-6-16)13-25-12-17-7-8-20-21(10-17)29-15-28-20/h2-11,25H,12-15H2,1H3/p+1