N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-3-(2-thienyl)propanamide CAS Name: N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]-3-(2-thienyl)propionamide Formula: C25H29N2OS+ MolecularWeight: 405.57556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)CCC4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)CCC4=CC=CS4

InChI

InChI=1S/C25H28N2OS/c28-25(14-13-23-7-5-17-29-23)26-18-22-6-1-2-8-24(22)21-11-9-20(10-12-21)19-27-15-3-4-16-27/h1-2,5-12,17H,3-4,13-16,18-19H2,(H,26,28)/p+1