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

Systemtic Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-4-methyl-piperazin-4-ium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CC[NH+](CC3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CC[NH+](CC3)C

InChI

InChI=1S/C19H28N4O2S/c1-3-26(24,25)19-20-15-18(16-22-13-11-21(2)12-14-22)23(19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3/p+1