1-[4-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H28N4O3S/c1-3-28(26,27)20-21-15-19(16-22-11-13-23(14-12-22)17(2)25)24(20)10-9-18-7-5-4-6-8-18/h4-8,15H,3,9-14,16H2,1-2H3/p+1