N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-4-(4-propylphenyl)butanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-4-(4-propylphenyl)butanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide Traditional Name: 4-keto-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-(4-propylphenyl)butyramide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C25H32N2O3/c1-2-5-20-8-10-21(11-9-20)24(28)12-13-25(29)26-18-22-6-3-4-7-23(22)19-27-14-16-30-17-15-27/h3-4,6-11H,2,5,12-19H2,1H3,(H,26,29)/p+1