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

Systemtic Name: 4-(5-methylthiophen-2-yl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(5-methyl-2-thienyl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-methylthiophen-2-yl)-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-keto-4-(5-methyl-2-thienyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O2S/c1-16-8-10-20(26-16)19(24)9-11-21(25)22-14-17-6-2-3-7-18(17)15-23-12-4-5-13-23/h2-3,6-8,10H,4-5,9,11-15H2,1H3,(H,22,25)/p+1