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

Systemtic Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C24H38N4O2S+2 MolecularWeight: 446.64912

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H36N4O2S/c1-2-31(29,30)24-25-19-23(28(24)18-11-21-9-5-3-6-10-21)20-26-16-12-22(13-17-26)27-14-7-4-8-15-27/h3,5-6,9-10,19,22H,2,4,7-8,11-18,20H2,1H3/p+2