[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O2S/c1-3-30(28,29)23-25-18-22(19-26(2)17-14-21-13-7-8-15-24-21)27(23)16-9-12-20-10-5-4-6-11-20/h4-8,10-11,13,15,18H,3,9,12,14,16-17,19H2,1-2H3/p+1