5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-ium-1-yl]methyl]-2-ethylsulfonyl-1-(phenylmethyl)imidazole

Systemtic Name: 5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-ium-1-yl]methyl]-2-ethylsulfonyl-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(2,2-diallylpyrrolidin-1-ium-1-yl)methyl]-2-ethylsulfonyl-imidazole CAS Name: 5-[[2,2-bis(prop-2-enyl)-1-pyrrolidin-1-iumyl]methyl]-2-ethylsulfonyl-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[[2,2-bis(prop-2-enyl)pyrrolidin-1-ium-1-yl]methyl]-2-ethylsulfonylimidazole Traditional Name: 1-benzyl-5-[(2,2-diallylpyrrolidin-1-ium-1-yl)methyl]-2-esyl-imidazole Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC3(CC=C)CC=C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCCC3(CC=C)CC=C

InChI

InChI=1S/C23H31N3O2S/c1-4-13-23(14-5-2)15-10-16-25(23)19-21-17-24-22(29(27,28)6-3)26(21)18-20-11-8-7-9-12-20/h4-5,7-9,11-12,17H,1-2,6,10,13-16,18-19H2,3H3/p+1