3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenesulfonamide Openeye Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H23N3O3S/c23-29(27,28)20-9-4-7-18(15-20)22(26)25-13-11-24(12-14-25)16-19-8-3-6-17-5-1-2-10-21(17)19/h1-10,15H,11-14,16H2,(H2,23,27,28)/p+1