4-(4-ethylphenyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(4-ethylphenyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(4-ethylphenyl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(4-ethylphenyl)-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(4-ethylphenyl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(4-ethylphenyl)-4-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C24H30N2O2/c1-2-19-9-11-20(12-10-19)23(27)13-14-24(28)25-17-21-7-3-4-8-22(21)18-26-15-5-6-16-26/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,25,28)/p+1