[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [4-(2-oxo-1-pyrrolidinyl)phenyl]methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [4-(2-ketopyrrolidino)benzyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C17H21N2OS+ MolecularWeight: 301.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C17H20N2OS/c1-13(16-4-3-11-21-16)18-12-14-6-8-15(9-7-14)19-10-2-5-17(19)20/h3-4,6-9,11,13,18H,2,5,10,12H2,1H3/p+1/t13-/m0/s1