4-(2,5-dimethylphenyl)-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(2,5-dimethylphenyl)-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(2,5-dimethylphenyl)-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(2,5-dimethylphenyl)-4-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(2,5-dimethylphenyl)-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C25H32N2O2/c1-19-6-7-20(2)23(16-19)24(28)12-13-25(29)26-17-21-8-10-22(11-9-21)18-27-14-4-3-5-15-27/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H,26,29)/p+1