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

Systemtic Name: 2-(2-methylpropylsulfonyl)-1-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Openeye Name: 1-benzyl-2-isobutylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole CAS Name: 2-(2-methylpropylsulfonyl)-1-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)imidazole IUPAC Name: 1-benzyl-2-(2-methylpropylsulfonyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Traditional Name: 1-benzyl-2-isobutylsulfonyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-16(2)15-25(23,24)19-20-12-18(14-21-10-6-7-11-21)22(19)13-17-8-4-3-5-9-17/h3-5,8-9,12,16H,6-7,10-11,13-15H2,1-2H3/p+1