ethyl 2-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-2-23-18(22)14-24-13-17(21)19-16-8-10-20(11-9-16)12-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,19,21)/p+1