1-[3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]piperidino]sulfonylphenyl]ethanone Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-21(30)23-6-5-9-25(20-23)35(32,33)29-12-10-22(11-13-29)26(31)28-16-14-27(15-17-28)18-19-34-24-7-3-2-4-8-24/h2-9,20,22H,10-19H2,1H3/p+1