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

Systemtic Name: N-methyl-N-[(1R)-1-phenylethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18(19-9-5-3-6-10-19)22(2)21(25)17-23-13-15-24(16-14-23)28(26,27)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/p+1/t18-/m1/s1