[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-methyl-[(5-methyl-2-furanyl)methyl]ammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methylfuran-2-yl)methyl]azanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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=C(O3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+](C)CC3=CC=C(O3)C

InChI

InChI=1S/C22H29N3O3S/c1-4-29(26,27)22-23-15-20(16-24(3)17-21-13-12-18(2)28-21)25(22)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,15H,4,8,11,14,16-17H2,1-3H3/p+1