N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3,4-dihydronaphthalene-2-sulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3,4-dihydronaphthalene-2-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3,4-dihydronaphthalene-2-sulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

InChI

InChI=1S/C24H29N3O3S/c1-25(31(29,30)23-12-11-21-9-5-6-10-22(21)17-23)19-24(28)27-15-13-26(14-16-27)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3/p+1