N-methyl-2-[4-(4-phenyl-1-thiophen-2-ylsulfonyl-piperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-(4-phenyl-1-thiophen-2-ylsulfonyl-piperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[4-phenyl-1-(2-thienylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-2-[4-[oxo-(4-phenyl-1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-2-[4-(4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-methyl-2-[4-[4-phenyl-1-(2-thienylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H31N4O4S2+ MolecularWeight: 491.64664

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C[NH+]1CCN(CC1)C(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O4S2/c1-24-20(28)18-25-13-15-26(16-14-25)22(29)23(19-6-3-2-4-7-19)9-11-27(12-10-23)33(30,31)21-8-5-17-32-21/h2-8,17H,9-16,18H2,1H3,(H,24,28)/p+1