tert-butyl 2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-piperidin-1-ium-1-ylidene-pentyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-piperidin-1-ium-1-ylidene-pentyl]sulfanylethanoate Openeye Name: tert-butyl 2-[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-1-piperidin-1-ium-1-ylidene-pentyl]sulfanylacetate CAS Name: 2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(1-piperidin-1-iumylidene)pentyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-piperidin-1-ium-1-ylidenepentyl]sulfanylacetate Traditional Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-1-piperidin-1-ium-1-ylidene-pentyl]thio]acetic acid tert-butyl ester Formula: C22H41N2O4S+ MolecularWeight: 429.63694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=[N+]1CCCCC1)SCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=[N+]1CCCCC1)SCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H40N2O4S/c1-16(2)14-17(23-20(26)28-22(6,7)8)19(24-12-10-9-11-13-24)29-15-18(25)27-21(3,4)5/h16-17H,9-15H2,1-8H3/p+1/t17-/m0/s1