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

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-thenyl)ammonium Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-3-28(25,26)21-22-15-19(16-23(2)17-20-12-8-14-27-20)24(21)13-7-11-18-9-5-4-6-10-18/h4-6,8-10,12,14-15H,3,7,11,13,16-17H2,1-2H3/p+1