2-ethylsulfonyl-1-phenethyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole

Systemtic Name: 2-ethylsulfonyl-1-phenethyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Openeye Name: 2-ethylsulfonyl-1-phenethyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole CAS Name: 2-ethylsulfonyl-1-phenethyl-5-(1-pyrrolidin-1-iumylmethyl)imidazole IUPAC Name: 2-ethylsulfonyl-1-phenethyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Traditional Name: 2-esyl-1-phenethyl-5-(pyrrolidin-1-ium-1-ylmethyl)imidazole Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C18H25N3O2S/c1-2-24(22,23)18-19-14-17(15-20-11-6-7-12-20)21(18)13-10-16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3/p+1