N-pentyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-pentyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-pentyl-acetamide CAS Name: N-pentyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-pentylacetamide Traditional Name: N-amyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O3S/c1-2-3-7-10-19-18(22)15-20-11-13-21(14-12-20)25(23,24)16-17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3,(H,19,22)/p+1