N-[(1S)-1-phenylbutyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[(1S)-1-phenylbutyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[(1S)-1-phenylbutyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-[(1S)-1-phenylbutyl]-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-[(1S)-1-phenylbutyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[(1S)-1-phenylbutyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C20H27N2O2+ MolecularWeight: 327.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C[NH+]3CCCC3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O2/c1-2-8-18(16-9-4-3-5-10-16)21-20(23)19-12-11-17(24-19)15-22-13-6-7-14-22/h3-5,9-12,18H,2,6-8,13-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1