(4-ethoxyphenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethoxyphenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (4-ethoxybenzyl)-[2-keto-2-(4-mesylpiperazino)ethyl]-methyl-ammonium Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-4-24-16-7-5-15(6-8-16)13-18(2)14-17(21)19-9-11-20(12-10-19)25(3,22)23/h5-8H,4,9-14H2,1-3H3/p+1