(2S)-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-(1-methyl-4-piperidin-1-iumyl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-(1-methylpiperidin-1-ium-4-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-(1-methylpiperidin-1-ium-4-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3S/c1-11(15(19)16-12-7-9-17(2)10-8-12)22-14-5-3-13(4-6-14)18(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,16,19)/p+1/t11-/m0/s1