(4-methylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(3-pyrrolidinosulfonylphenyl)methanone Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-17-9-11-18(12-10-17)16(20)14-5-4-6-15(13-14)23(21,22)19-7-2-3-8-19/h4-6,13H,2-3,7-12H2,1H3/p+1