1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-16-6-7-17(2)18(14-16)26(24,25)22-12-10-21(11-13-22)19(23)15-20-8-4-3-5-9-20/h6-7,14H,3-5,8-13,15H2,1-2H3/p+1