dimethyl-[[2-[[[4-oxidanylidene-4-(4-propylphenyl)butanoyl]amino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[4-oxidanylidene-4-(4-propylphenyl)butanoyl]amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[4-oxo-4-(4-propylphenyl)butanoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: [2-[[[1,4-dioxo-4-(4-propylphenyl)butyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: dimethyl-[[2-[[[4-oxo-4-(4-propylphenyl)butanoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[4-keto-4-(4-propylphenyl)butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C23H30N2O2/c1-4-7-18-10-12-19(13-11-18)22(26)14-15-23(27)24-16-20-8-5-6-9-21(20)17-25(2)3/h5-6,8-13H,4,7,14-17H2,1-3H3,(H,24,27)/p+1