N,N-diethyl-6-(4-phenethylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-6-(4-phenethylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide Openeye Name: N,N-diethyl-6-(4-phenethylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-(4-phenethyl-1-piperazin-4-iumyl)-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-6-(4-phenethylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-phenethylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-3-25(4-2)28(26,27)20-10-11-21(22-18-20)24-16-14-23(15-17-24)13-12-19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3/p+1