(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/c1-18-9-11-19(12-10-18)17(21)14-5-6-15(24-2)16(13-14)25(22,23)20-7-3-4-8-20/h5-6,13H,3-4,7-12H2,1-2H3/p+1