N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-3-carboxamide Openeye Name: N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-3-carboxamide CAS Name: N-[3-oxo-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propyl]-3-thiophenecarboxamide IUPAC Name: N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]propyl]thiophene-3-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H25N3O2S/c24-19(7-9-21-20(25)18-8-12-26-15-18)22-13-16-3-5-17(6-4-16)14-23-10-1-2-11-23/h3-6,8,12,15H,1-2,7,9-11,13-14H2,(H,21,25)(H,22,24)/p+1