1-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(m-tolylmethyl)methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]methanamine; oxalic acid Traditional Name: (3-methylbenzyl)-piperonyl-amine; oxalic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NO2.C2H2O4/c1-12-3-2-4-13(7-12)9-17-10-14-5-6-15-16(8-14)19-11-18-15;3-1(4)2(5)6/h2-8,17H,9-11H2,1H3;(H,3,4)(H,5,6)