2-azanylethyl-diethyl-(3-phenylpropyl)azanium; ethanedioic acid; hydrate

Systemtic Name: 2-azanylethyl-diethyl-(3-phenylpropyl)azanium; ethanedioic acid; hydrate Openeye Name: 2-aminoethyl-diethyl-(3-phenylpropyl)ammonium; oxalic acid; hydrate CAS Name: 2-aminoethyl-diethyl-(3-phenylpropyl)ammonium; oxalic acid; hydrate IUPAC Name: 2-aminoethyl-diethyl-(3-phenylpropyl)azanium; oxalic acid; hydrate Traditional Name: 2-aminoethyl-diethyl-(3-phenylpropyl)ammonium; oxalic acid; hydrate Formula: C17H31N2O5+ MolecularWeight: 343.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCC1=CC=CC=C1)CCN.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC[N+](CC)(CCCC1=CC=CC=C1)CCN.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C15H27N2.C2H2O4.H2O/c1-3-17(4-2,14-12-16)13-8-11-15-9-6-5-7-10-15;3-1(4)2(5)6;/h5-7,9-10H,3-4,8,11-14,16H2,1-2H3;(H,3,4)(H,5,6);1H2/q+1;;