(3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one

Systemtic Name: (3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-4-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C22H32N4O3S/c1-4-24-14-15-25(18(3)21(24)27)17-20-16-23-22(30(28,29)5-2)26(20)13-9-12-19-10-7-6-8-11-19/h6-8,10-11,16,18H,4-5,9,12-15,17H2,1-3H3/p+1/t18-/m0/s1