3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 3-methyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 3-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C18H22N2OS/c1-14-8-11-22-17(14)18(21)19-12-15-6-2-3-7-16(15)13-20-9-4-5-10-20/h2-3,6-8,11H,4-5,9-10,12-13H2,1H3,(H,19,21)/p+1