N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-19-9-11-20(12-10-19)17-23(2)22(26)18-24-13-15-25(16-14-24)29(27,28)21-7-5-4-6-8-21/h4-12H,3,13-18H2,1-2H3/p+1