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

Systemtic Name: 1-[4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-17(2)29(27,28)21-22-15-20(16-23-11-13-24(14-12-23)18(3)26)25(21)10-9-19-7-5-4-6-8-19/h4-8,15,17H,9-14,16H2,1-3H3/p+1