N,N-diethyl-4-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide CAS Name: N,N-diethyl-4-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N,N-diethyl-4-methylbenzenesulfonamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-N,N-diethyl-4-methyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-26(5-2)30(28,29)21-12-11-19(3)22(17-21)23(27)25-15-13-24(14-16-25)18-20-9-7-6-8-10-20/h6-12,17H,4-5,13-16,18H2,1-3H3/p+1