N-(2-oxidanyl-4-piperidin-1-ium-1-ylidene-thiochromen-3-yl)ethanamide

Systemtic Name: N-(2-oxidanyl-4-piperidin-1-ium-1-ylidene-thiochromen-3-yl)ethanamide Openeye Name: N-(2-hydroxy-4-piperidin-1-ium-1-ylidene-thiochromen-3-yl)acetamide CAS Name: N-[2-hydroxy-4-(1-piperidin-1-iumylidene)-1-benzothiopyran-3-yl]acetamide IUPAC Name: N-(2-hydroxy-4-piperidin-1-ium-1-ylidenethiochromen-3-yl)acetamide Traditional Name: N-(2-hydroxy-4-piperidin-1-ium-1-ylidene-thiochromen-3-yl)acetamide Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC2=CC=CC=C2C1=[N+]3CCCCC3)O

Isomeric SMILES

CC(=O)NC1=C(SC2=CC=CC=C2C1=[N+]3CCCCC3)O

InChI

InChI=1S/C16H18N2O2S/c1-11(19)17-14-15(18-9-5-2-6-10-18)12-7-3-4-8-13(12)21-16(14)20/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19)/p+1