3-nitro-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-nitro-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-nitro-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-nitro-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-nitro-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-nitro-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S/c22-18(14-6-4-7-15(12-14)21(23)24)19-13-16(17-8-5-11-25-17)20-9-2-1-3-10-20/h4-8,11-12,16H,1-3,9-10,13H2,(H,19,22)/p+1/t16-/m0/s1