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

Systemtic Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-methyl-o-veratryl-ammonium Formula: C26H32N3O5S+ MolecularWeight: 498.61438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S/c1-27(18-22-9-6-10-24(33-2)26(22)34-3)19-25(30)28-13-15-29(16-14-28)35(31,32)23-12-11-20-7-4-5-8-21(20)17-23/h4-12,17H,13-16,18-19H2,1-3H3/p+1