N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c28-24(13-14-25-31(29,30)22-10-2-1-3-11-22)27-17-15-26(16-18-27)19-21-9-6-8-20-7-4-5-12-23(20)21/h1-12,25H,13-19H2/p+1