N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C20H34N4O4S+2 MolecularWeight: 426.57336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H32N4O4S/c1-3-28-19-8-7-17(29(26,27)24-9-5-4-6-10-24)15-18(19)21-20(25)16-23-13-11-22(2)12-14-23/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,21,25)/p+2