ethanedioic acid; 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(phenylmethyl)indole

Systemtic Name: ethanedioic acid; 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(phenylmethyl)indole Openeye Name: 3-benzyl-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid CAS Name: 1-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-3-(phenylmethyl)indole; oxalic acid IUPAC Name: 3-benzyl-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid Traditional Name: 3-benzyl-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole; oxalic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CN2C=C(C3=CC=CC=C32)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC[C@@H]1CN2C=C(C3=CC=CC=C32)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2.C2H2O4/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23;3-1(4)2(5)6/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3;(H,3,4)(H,5,6)/t19-;/m1./s1