N,N-diethyl-6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C21H32N4O2S+2 MolecularWeight: 404.56938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H30N4O2S/c1-4-25(5-2)28(26,27)20-10-11-21(22-16-20)24-14-12-23(13-15-24)17-19-9-7-6-8-18(19)3/h6-11,16H,4-5,12-15,17H2,1-3H3/p+2