1-(4-methylpiperazin-4-ium-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-19-12-14-20(15-13-19)18(22)9-6-16-4-7-17(8-5-16)25(23,24)21-10-2-3-11-21/h4-5,7-8H,2-3,6,9-15H2,1H3/p+1