N-(3,4-dimethoxyphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3,4-dimethoxyphenyl)methanesulfonamide CAS Name: N-(3,4-dimethoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3,4-dimethoxyphenyl)methanesulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H29N3O5S/c1-29-20-10-9-19(15-21(20)30-2)25(31(3,27)28)17-22(26)24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3/p+1