[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-(4-mesylpiperazino)ethyl]ammonium Formula: C17H28N3O3S+ MolecularWeight: 354.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-15(2)19(13-16-7-5-4-6-8-16)14-17(21)18-9-11-20(12-10-18)24(3,22)23/h4-8,15H,9-14H2,1-3H3/p+1