4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-yl-ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-yl-ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-2-phenyl-2-(1-piperazine-1,4-diiumyl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-ylethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-yl-ethyl]benzenesulfonamide Formula: C19H27N3O2S+2 MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CC=CC=C2)[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C19H25N3O2S/c1-16-7-9-18(10-8-16)25(23,24)21-15-19(17-5-3-2-4-6-17)22-13-11-20-12-14-22/h2-10,19-21H,11-15H2,1H3/p+2/t19-/m1/s1