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

Systemtic Name: (4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-methoxy-3-(1-piperidylsulfonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-methoxy-3-piperidin-1-ylsulfonylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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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)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O4S/c1-19-10-12-20(13-11-19)18(22)15-6-7-16(25-2)17(14-15)26(23,24)21-8-4-3-5-9-21/h6-7,14H,3-5,8-13H2,1-2H3/p+1