N-[3-oxidanylidene-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-oxo-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide CAS Name: N-[3-oxo-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-oxo-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-keto-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]propyl]thiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c24-19(9-10-21-20(25)18-8-5-13-26-18)22-14-16-6-1-2-7-17(16)15-23-11-3-4-12-23/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,21,25)(H,22,24)/p+1