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

Systemtic Name: 4-(5-methylthiophen-2-yl)-4-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(5-methyl-2-thienyl)-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-methylthiophen-2-yl)-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-keto-4-(5-methyl-2-thienyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-17-5-11-21(27-17)20(25)10-12-22(26)23-15-18-6-8-19(9-7-18)16-24-13-3-2-4-14-24/h5-9,11H,2-4,10,12-16H2,1H3,(H,23,26)/p+1