1-cyclopentyl-4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-cyclopentyl-4-[[2-ethylsulfonyl-3-(phenylmethyl)imidazol-4-yl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(3-benzyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-cyclopentyl-1,4-diazepan-4-ium CAS Name: 1-cyclopentyl-4-[[2-ethylsulfonyl-3-(phenylmethyl)-4-imidazolyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-cyclopentyl-1,4-diazepan-4-ium Traditional Name: 1-[(3-benzyl-2-esyl-imidazol-4-yl)methyl]-4-cyclopentyl-1,4-diazepan-4-ium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C23H34N4O2S/c1-2-30(28,29)23-24-17-22(27(23)18-20-9-4-3-5-10-20)19-25-13-8-14-26(16-15-25)21-11-6-7-12-21/h3-5,9-10,17,21H,2,6-8,11-16,18-19H2,1H3/p+1