2-(2-methoxyethylsulfonyl)-1-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole

Systemtic Name: 2-(2-methoxyethylsulfonyl)-1-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Openeye Name: 1-benzyl-2-(2-methoxyethylsulfonyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole CAS Name: 2-(2-methoxyethylsulfonyl)-1-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)imidazole IUPAC Name: 1-benzyl-2-(2-methoxyethylsulfonyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Traditional Name: 1-benzyl-2-(2-methoxyethylsulfonyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-24-11-12-25(22,23)18-19-13-17(15-20-9-5-6-10-20)21(18)14-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3/p+1