[3-(3,4-diethylphenyl)-4-phenyl-butyl]-dimethyl-azanium carbonate

Systemtic Name: [3-(3,4-diethylphenyl)-4-phenyl-butyl]-dimethyl-azanium carbonate Openeye Name: [3-(3,4-diethylphenyl)-4-phenyl-butyl]-dimethyl-ammonium carbonate CAS Name: [3-(3,4-diethylphenyl)-4-phenylbutyl]-dimethylammonium carbonate IUPAC Name: [3-(3,4-diethylphenyl)-4-phenylbutyl]-dimethylazanium carbonate Traditional Name: [3-(3,4-diethylphenyl)-4-phenyl-butyl]-dimethyl-ammonium carbonate Formula: C45H64N2O3 MolecularWeight: 681.00126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(CC[NH+](C)C)CC2=CC=CC=C2)CC.CCC1=C(C=C(C=C1)C(CC[NH+](C)C)CC2=CC=CC=C2)CC.C(=O)([O-])[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)C(CC[NH+](C)C)CC2=CC=CC=C2)CC.CCC1=C(C=C(C=C1)C(CC[NH+](C)C)CC2=CC=CC=C2)CC.C(=O)([O-])[O-]

InChI

InChI=1S/2C22H31N.CH2O3/c2*1-5-19-12-13-21(17-20(19)6-2)22(14-15-23(3)4)16-18-10-8-7-9-11-18;2-1(3)4/h2*7-13,17,22H,5-6,14-16H2,1-4H3;(H2,2,3,4)