2-[(4-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(4-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(4-nitrophenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(4-nitrophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(4-nitrophenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C14H17N2O4S+ MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)O)CC1

Isomeric SMILES

C1CC[N+](=C(C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)O)CC1

InChI

InChI=1S/C14H16N2O4S/c17-13(18)10-21-14(15-8-2-1-3-9-15)11-4-6-12(7-5-11)16(19)20/h4-7H,1-3,8-10H2/p+1