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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C27H33N4O4S+ MolecularWeight: 509.64032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H32N4O4S/c1-35-25-9-7-24(8-10-25)29-14-12-28(13-15-29)21-27(32)30-16-18-31(19-17-30)36(33,34)26-11-6-22-4-2-3-5-23(22)20-26/h2-11,20H,12-19,21H2,1H3/p+1