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

Systemtic Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-4-ium Openeye Name: 1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(2-methoxyethyl)piperazin-4-ium CAS Name: 1-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-4-(2-methoxyethyl)piperazin-4-ium IUPAC Name: 1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-(2-methoxyethyl)piperazin-4-ium Traditional Name: 1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-4-(2-methoxyethyl)piperazin-4-ium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CCOC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CCOC

InChI

InChI=1S/C20H30N4O3S/c1-3-28(25,26)20-21-15-19(24(20)16-18-7-5-4-6-8-18)17-23-11-9-22(10-12-23)13-14-27-2/h4-8,15H,3,9-14,16-17H2,1-2H3/p+1