4-methyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18-7-9-20(10-8-18)28(26,27)22-12-11-21(25)24-15-13-23(14-16-24)17-19-5-3-2-4-6-19/h2-10,22H,11-17H2,1H3/p+1