4-(4-chlorophenyl)butyl-heptyl-methyl-azanium; ethanedioate

Systemtic Name: 4-(4-chlorophenyl)butyl-heptyl-methyl-azanium; ethanedioate Openeye Name: 4-(4-chlorophenyl)butyl-heptyl-methyl-ammonium; oxalate CAS Name: 4-(4-chlorophenyl)butyl-heptyl-methylammonium; oxalate IUPAC Name: 4-(4-chlorophenyl)butyl-heptyl-methylazanium; oxalate Traditional Name: 4-(4-chlorophenyl)butyl-heptyl-methyl-ammonium; oxalate Formula: C38H62Cl2N2O4 MolecularWeight: 681.81588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[NH+](C)CCCCC1=CC=C(C=C1)Cl.CCCCCCC[NH+](C)CCCCC1=CC=C(C=C1)Cl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCC[NH+](C)CCCCC1=CC=C(C=C1)Cl.CCCCCCC[NH+](C)CCCCC1=CC=C(C=C1)Cl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C18H30ClN.C2H2O4/c2*1-3-4-5-6-8-15-20(2)16-9-7-10-17-11-13-18(19)14-12-17;3-1(4)2(5)6/h2*11-14H,3-10,15-16H2,1-2H3;(H,3,4)(H,5,6)