N,N-diethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-diethyl-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-diethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-diethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C24H32N3O3S2+ MolecularWeight: 474.65918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S2/c1-3-26(4-2)32(28,29)21-10-11-23-22(17-21)27(24(31)30-23)18-25-14-12-20(13-15-25)16-19-8-6-5-7-9-19/h5-11,17,20H,3-4,12-16,18H2,1-2H3/p+1