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

Systemtic Name: N-(3-methoxyphenyl)-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-methoxyphenyl)methanesulfonamide CAS Name: N-(3-methoxyphenyl)-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-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3-methoxyphenyl)methanesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-28-20-10-6-9-19(15-20)24(29(2,26)27)17-21(25)23-13-11-22(12-14-23)16-18-7-4-3-5-8-18/h3-10,15H,11-14,16-17H2,1-2H3/p+1