6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-veratrylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H32N4O4S/c1-5-26(6-2)31(27,28)19-8-10-22(23-16-19)25-13-11-24(12-14-25)17-18-7-9-20(29-3)21(15-18)30-4/h7-10,15-16H,5-6,11-14,17H2,1-4H3/p+1