(2,4-dimethylphenyl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: (2,4-dimethylbenzyl)-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C18H22NO3+ MolecularWeight: 300.37218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3)C

InChI

InChI=1S/C18H21NO3/c1-12-4-5-14(13(2)6-12)9-19(3)10-15-7-17-18(8-16(15)20)22-11-21-17/h4-8,20H,9-11H2,1-3H3/p+1