(6-methoxy-1,3-benzodioxol-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-(p-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(4-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-(4-methylbenzyl)-(4-pyridylmethyl)ammonium Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3OC)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3OC)OCO4

InChI

InChI=1S/C23H24N2O3/c1-17-3-5-18(6-4-17)13-25(14-19-7-9-24-10-8-19)15-20-11-22-23(28-16-27-22)12-21(20)26-2/h3-12H,13-16H2,1-2H3/p+1