[(4-chlorophenyl)-phenyl-methyl]-methyl-[2-(propylazaniumyl)ethyl]azanium; ethanedioate

Systemtic Name: [(4-chlorophenyl)-phenyl-methyl]-methyl-[2-(propylazaniumyl)ethyl]azanium; ethanedioate Openeye Name: [(4-chlorophenyl)-phenyl-methyl]-methyl-[2-(propylammonio)ethyl]ammonium; oxalate CAS Name: [(4-chlorophenyl)-phenylmethyl]-methyl-[2-(propylammonio)ethyl]ammonium; oxalate IUPAC Name: [(4-chlorophenyl)-phenylmethyl]-methyl-[2-(propylazaniumyl)ethyl]azanium; oxalate Traditional Name: [(4-chlorophenyl)-phenyl-methyl]-methyl-[2-(propylammonio)ethyl]ammonium; oxalate Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC[NH+](C)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC[NH2+]CC[NH+](C)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H25ClN2.C2H2O4/c1-3-13-21-14-15-22(2)19(16-7-5-4-6-8-16)17-9-11-18(20)12-10-17;3-1(4)2(5)6/h4-12,19,21H,3,13-15H2,1-2H3;(H,3,4)(H,5,6)