2-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]ethanamine; oxalic acid Traditional Name: (3-chlorobenzyl)-homopiperonyl-amine; oxalic acid Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16ClNO2.C2H2O4/c17-14-3-1-2-13(8-14)10-18-7-6-12-4-5-15-16(9-12)20-11-19-15;3-1(4)2(5)6/h1-5,8-9,18H,6-7,10-11H2;(H,3,4)(H,5,6)