2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)O

InChI

InChI=1S/C26H30N4O4S/c31-24-8-6-23(7-9-24)28-13-11-27(12-14-28)20-26(32)29-15-17-30(18-16-29)35(33,34)25-10-5-21-3-1-2-4-22(21)19-25/h1-10,19,31H,11-18,20H2/p+1