N-(phenylmethyl)-1-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(phenylmethyl)-1-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-thioxooxazolidin-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(phenylmethyl)-1-[(2-sulfanylidene-3-oxazolidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2-thioxooxazolidin-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3CCOC3=S

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CN3CCOC3=S

InChI

InChI=1S/C17H23N3O2S/c21-16(18-12-14-4-2-1-3-5-14)15-6-8-19(9-7-15)13-20-10-11-22-17(20)23/h1-5,15H,6-13H2,(H,18,21)/p+1