3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC=C

InChI

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