1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H31N3O3S/c1-4-10-25-18(2)15-21(19(25)3)22(26)16-23-11-13-24(14-12-23)29(27,28)17-20-8-6-5-7-9-20/h5-9,15H,4,10-14,16-17H2,1-3H3/p+1