(2R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O3S/c1-14-6-3-4-12-20(14)13-5-11-19-18(22)15(2)25-17-9-7-16(8-10-17)21(23)24/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,19,22)/p+1/t14-,15+/m0/s1