methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O4S/c1-26(17-18-32-23-9-3-2-4-10-23)20-25(29)27-13-15-28(16-14-27)33(30,31)24-12-11-21-7-5-6-8-22(21)19-24/h2-12,19H,13-18,20H2,1H3/p+1