[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-piperidin-1-yl-methanone Openeye Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-(1-piperidyl)methanone CAS Name: [5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-(methylthio)phenyl]-(1-piperidinyl)methanone IUPAC Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanylphenyl]-piperidin-1-ylmethanone Traditional Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-(methylthio)phenyl]-piperidino-methanone Formula: C19H30N3O3S2+ MolecularWeight: 412.5898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S2/c1-3-20-11-13-22(14-12-20)27(24,25)16-7-8-18(26-2)17(15-16)19(23)21-9-5-4-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3/p+1