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

Systemtic Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium Openeye Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium CAS Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium IUPAC Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium Traditional Name: 1-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-phenoxyethyl)piperazin-1-ium Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O4S/c1-3-30(26,27)21-22-17-19(25(21)14-15-28-2)18-24-11-9-23(10-12-24)13-16-29-20-7-5-4-6-8-20/h4-8,17H,3,9-16,18H2,1-2H3/p+1