1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-(methoxymethyl)piperidin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC(CC3)COC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC(CC3)COC

InChI

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