[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H31N3O3S/c1-4-21-11-13-22(14-12-21)20(24)18-7-9-23(10-8-18)27(25,26)19-6-5-16(2)17(3)15-19/h5-6,15,18H,4,7-14H2,1-3H3/p+1