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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-20-13-15-21(16-14-20)19(23)10-7-17-5-8-18(9-6-17)26(24,25)22-11-3-2-4-12-22/h5-6,8-9H,2-4,7,10-16H2,1H3/p+1