N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-(1-pyrrolidin-1-iumylmethyl)anilino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c27-22(24-19-10-8-17(9-11-19)16-26-12-1-2-13-26)18-5-3-6-20(15-18)25-23(28)21-7-4-14-29-21/h3-11,14-15H,1-2,12-13,16H2,(H,24,27)(H,25,28)/p+1