ethanedioate; N-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine; hydrate

Systemtic Name: ethanedioate; N-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine; hydrate Openeye Name: N-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine; oxalate; hydrate CAS Name: N-methyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propanamine; oxalate; hydrate IUPAC Name: N-methyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine; oxalate; hydrate Traditional Name: methyl-[1-methyl-2-[4-(2-pyrrolidinoethoxy)phenyl]ethyl]amine; oxalate; hydrate Formula: C40H54N4O19-8 MolecularWeight: 894.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCCN2CCCC2)NC.CC(CC1=CC=C(C=C1)OCCN2CCCC2)NC.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCCN2CCCC2)NC.CC(CC1=CC=C(C=C1)OCCN2CCCC2)NC.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/2C16H26N2O.4C2H2O4.H2O/c2*1-14(17-2)13-15-5-7-16(8-6-15)19-12-11-18-9-3-4-10-18;4*3-1(4)2(5)6;/h2*5-8,14,17H,3-4,9-13H2,1-2H3;4*(H,3,4)(H,5,6);1H2/p-8