(2R)-2-[[[(1S)-cyclohex-2-en-1-yl]amino]-piperidin-1-ium-1-ylidene-methyl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[[[(1S)-cyclohex-2-en-1-yl]amino]-piperidin-1-ium-1-ylidene-methyl]sulfanylbutanedioate Openeye Name: (2R)-2-[[[(1S)-cyclohex-2-en-1-yl]amino]-piperidin-1-ium-1-ylidene-methyl]sulfanylbutanedioate CAS Name: (2R)-2-[[[[(1S)-1-cyclohex-2-enyl]amino]-(1-piperidin-1-iumylidene)methyl]thio]butanedioate IUPAC Name: (2R)-2-[[[(1S)-cyclohex-2-en-1-yl]amino]-piperidin-1-ium-1-ylidenemethyl]sulfanylbutanedioate Traditional Name: (2R)-2-[[[[(1S)-cyclohex-2-en-1-yl]amino]-piperidin-1-ium-1-ylidene-methyl]thio]succinate Formula: C16H23N2O4S- MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(NC2CCCC=C2)SC(CC(=O)[O-])C(=O)[O-])CC1

Isomeric SMILES

C1CC[N+](=C(N[C@H]2CCCC=C2)S[C@H](CC(=O)[O-])C(=O)[O-])CC1

InChI

InChI=1S/C16H24N2O4S/c19-14(20)11-13(15(21)22)23-16(18-9-5-2-6-10-18)17-12-7-3-1-4-8-12/h3,7,12-13H,1-2,4-6,8-11H2,(H2,19,20,21,22)/p-1/t12-,13-/m1/s1