ethanedioic acid; N-(phenylmethyl)-1-pyrrolidin-2-yl-methanamine

Systemtic Name: ethanedioic acid; N-(phenylmethyl)-1-pyrrolidin-2-yl-methanamine Openeye Name: N-benzyl-1-pyrrolidin-2-yl-methanamine; oxalic acid CAS Name: oxalic acid; N-(phenylmethyl)-1-(2-pyrrolidinyl)methanamine IUPAC Name: N-benzyl-1-pyrrolidin-2-ylmethanamine; oxalic acid Traditional Name: benzyl(pyrrolidin-2-ylmethyl)amine; oxalic acid Formula: C16H22N2O8 MolecularWeight: 370.35448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CNCC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(NC1)CNCC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2.2C2H2O4/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;2*3-1(4)2(5)6/h1-3,5-6,12-14H,4,7-10H2;2*(H,3,4)(H,5,6)