[2-(aminomethyl)-1-phenyl-cyclopropyl]-pyrrolidin-1-yl-methanone; ethanedioate; hydrate

Systemtic Name: [2-(aminomethyl)-1-phenyl-cyclopropyl]-pyrrolidin-1-yl-methanone; ethanedioate; hydrate Openeye Name: [2-(aminomethyl)-1-phenyl-cyclopropyl]-pyrrolidin-1-yl-methanone; oxalate; hydrate CAS Name: [2-(aminomethyl)-1-phenylcyclopropyl]-(1-pyrrolidinyl)methanone; oxalate; hydrate IUPAC Name: [2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone; oxalate; hydrate Traditional Name: [2-(aminomethyl)-1-phenyl-cyclopropyl]-pyrrolidino-methanone; oxalate; hydrate Formula: C34H42N4O11-4 MolecularWeight: 682.71748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2(CC2CN)C3=CC=CC=C3.C1CCN(C1)C(=O)C2(CC2CN)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

C1CCN(C1)C(=O)C2(CC2CN)C3=CC=CC=C3.C1CCN(C1)C(=O)C2(CC2CN)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/2C15H20N2O.2C2H2O4.H2O/c2*16-11-13-10-15(13,12-6-2-1-3-7-12)14(18)17-8-4-5-9-17;2*3-1(4)2(5)6;/h2*1-3,6-7,13H,4-5,8-11,16H2;2*(H,3,4)(H,5,6);1H2/p-4