1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenethyl-piperidin-1-ium

Systemtic Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenethyl-piperidin-1-ium Openeye Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenethyl-piperidin-1-ium CAS Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-phenethylpiperidin-1-ium IUPAC Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenethylpiperidin-1-ium Traditional Name: 1-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenethyl-piperidin-1-ium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3S/c1-3-29(26,27)22-23-17-21(25(22)15-16-28-2)18-24-13-11-20(12-14-24)10-9-19-7-5-4-6-8-19/h4-8,17,20H,3,9-16,18H2,1-2H3/p+1