[1-(4-ethoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-ethoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-ethoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-ethoxy-3-methylphenyl)sulfonyl-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-ethoxy-3-methyl-phenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H31N3O4S/c1-4-27-19-6-5-18(15-16(19)2)28(25,26)23-9-7-17(8-10-23)20(24)22-13-11-21(3)12-14-22/h5-6,15,17H,4,7-14H2,1-3H3/p+1