[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-methoxyethyl)-propan-2-yl-azanium

Systemtic Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-methoxyethyl)-propan-2-yl-azanium Openeye Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: [2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-isopropyl-(2-methoxyethyl)ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-5-28(25,26)21-22-16-20(17-23(18(2)3)14-15-27-4)24(21)13-9-12-19-10-7-6-8-11-19/h6-8,10-11,16,18H,5,9,12-15,17H2,1-4H3/p+1