[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidin-1-yl-methanone Openeye Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-(1-piperidyl)methanone CAS Name: [2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-piperidin-1-ylmethanone Traditional Name: [2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-piperidino-methanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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