[(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CCC(C3)[NH+](C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CC[C@@H](C3)[NH+](C)C

InChI

InChI=1S/C21H32N4O2S/c1-4-28(26,27)21-22-15-20(17-24-14-12-19(16-24)23(2)3)25(21)13-8-11-18-9-6-5-7-10-18/h5-7,9-10,15,19H,4,8,11-14,16-17H2,1-3H3/p+1/t19-/m0/s1