2-ethylsulfonyl-1-(3-phenylpropyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole

Systemtic Name: 2-ethylsulfonyl-1-(3-phenylpropyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Openeye Name: 2-ethylsulfonyl-1-(3-phenylpropyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole CAS Name: 2-ethylsulfonyl-1-(3-phenylpropyl)-5-(1-pyrrolidin-1-iumylmethyl)imidazole IUPAC Name: 2-ethylsulfonyl-1-(3-phenylpropyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Traditional Name: 2-esyl-1-(3-phenylpropyl)-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Formula: C19H28N3O2S+ MolecularWeight: 362.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC3

InChI

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