2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c30-25(21-28-16-14-27(15-17-28)18-19-33-23-9-3-1-4-10-23)26-22-8-7-11-24(20-22)34(31,32)29-12-5-2-6-13-29/h1,3-4,7-11,20H,2,5-6,12-19,21H2,(H,26,30)/p+1