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

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (3-methoxyphenyl)methyl-methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-m-anisyl-methyl-ammonium Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O4S/c1-26(18-20-6-5-9-23(16-20)32-2)19-25(29)27-12-14-28(15-13-27)33(30,31)24-11-10-21-7-3-4-8-22(21)17-24/h3-11,16-17H,12-15,18-19H2,1-2H3/p+1