N-propyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-propyl-2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-propyl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: N-propyl-2-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-propyl-2-[4-(4-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O4S/c1-2-9-21-19(25)16-22-12-14-23(15-13-22)20(26)17-5-7-18(8-6-17)29(27,28)24-10-3-4-11-24/h5-8H,2-4,9-16H2,1H3,(H,21,25)/p+1