N,N-dimethyl-N'-(phenylmethyl)-N'-pyridin-2-yl-ethane-1,2-diamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-dimethyl-N'-(phenylmethyl)-N'-pyridin-2-yl-ethane-1,2-diamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N'-benzyl-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine citrate CAS Name: N,N-dimethyl-N'-(phenylmethyl)-N'-(2-pyridinyl)ethane-1,2-diamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: benzyl-(2-dimethylaminoethyl)-(2-pyridyl)amine citrate Formula: C22H26N3O7-3 MolecularWeight: 444.45774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3