2,4,6-trimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: 2,4,6-trimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 2,4,6-trimethyl-N-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: 2,4,6-trimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: 2,4,6-trimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzenesulfonamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C20H28N4O2S/c1-16-14-17(2)20(18(3)15-16)27(25,26)22-8-9-23-10-12-24(13-11-23)19-6-4-5-7-21-19/h4-7,14-15,22H,8-13H2,1-3H3/p+1