N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-naphthalene-2-sulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-naphthalene-2-sulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-methyl-naphthalene-2-sulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-methyl-2-naphthalenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-methylnaphthalene-2-sulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-methyl-naphthalene-2-sulfonamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27N3O5S/c1-26(34(30,31)22-8-7-20-4-2-3-5-21(20)15-22)17-25(29)28-12-10-27(11-13-28)16-19-6-9-23-24(14-19)33-18-32-23/h2-9,14-15H,10-13,16-18H2,1H3/p+1