(3R)-3-ethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H30N4O3S/c1-4-19-20(26)22-11-13-24(19)15-18-14-23-21(29(27,28)16(2)3)25(18)12-10-17-8-6-5-7-9-17/h5-9,14,16,19H,4,10-13,15H2,1-3H3,(H,22,26)/p+1/t19-/m1/s1