N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-N-prop-2-enyl-methanesulfonamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-N-prop-2-enyl-methanesulfonamide Openeye Name: N-allyl-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-N-prop-2-enylmethanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide Traditional Name: N-allyl-N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-3-13-25(29(2,27)28)21-11-9-20(10-12-21)22(26)24-16-14-23(15-17-24)18-19-7-5-4-6-8-19/h3-12H,1,13-18H2,2H3/p+1