N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate

Systemtic Name: N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate Openeye Name: N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate CAS Name: N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate IUPAC Name: N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate Traditional Name: N,N-dimethyl-1-[4-(4-propoxyphenyl)phenyl]methanamine oxide dihydrate Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C[N+](C)(C)[O-].O.O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C[N+](C)(C)[O-].O.O

InChI

InChI=1S/C18H23NO2.2H2O/c1-4-13-21-18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-19(2,3)20;;/h5-12H,4,13-14H2,1-3H3;2*1H2