2-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 2-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[(1R,2S)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 2-nitro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2-nitro-benzamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-13(17(16-9-6-12-25-16)20-10-4-5-11-20)19-18(22)14-7-2-3-8-15(14)21(23)24/h2-3,6-9,12-13,17H,4-5,10-11H2,1H3,(H,19,22)/p+1/t13-,17+/m0/s1