4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-3-ol; (E)-but-2-enedioic acid

Systemtic Name: 4-(aminomethyl)-1-(phenylmethyl)pyrrolidin-3-ol; (E)-but-2-enedioic acid Openeye Name: 4-(aminomethyl)-1-benzyl-pyrrolidin-3-ol; fumaric acid CAS Name: 4-(aminomethyl)-1-(phenylmethyl)-3-pyrrolidinol; (E)-2-butenedioic acid IUPAC Name: 4-(aminomethyl)-1-benzylpyrrolidin-3-ol; (E)-but-2-enedioic acid Traditional Name: 4-(aminomethyl)-1-benzyl-pyrrolidin-3-ol; fumaric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)O)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(C(CN1CC2=CC=CC=C2)O)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2O.C4H4O4/c13-6-11-8-14(9-12(11)15)7-10-4-2-1-3-5-10;5-3(6)1-2-4(7)8/h1-5,11-12,15H,6-9,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+