[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3S)-oxolan-3-yl]azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3S)-oxolan-3-yl]azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[(3S)-3-oxolanyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3S)-oxolan-3-yl]azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)C3CCOC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)[C@H]3CCOC3

InChI

InChI=1S/C20H29N3O3S/c1-3-27(24,25)20-21-14-19(15-22(2)18-11-13-26-16-18)23(20)12-7-10-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,15-16H2,1-2H3/p+1/t18-/m0/s1