[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(2-thienylmethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S2/c1-2-30(27,28)22-23-16-20(17-24(13-14-26)18-21-11-7-15-29-21)25(22)12-6-10-19-8-4-3-5-9-19/h3-5,7-9,11,15-16,26H,2,6,10,12-14,17-18H2,1H3/p+1