1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]azocan-1-ium

Systemtic Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Formula: C19H36N3O3S+ MolecularWeight: 386.57244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCCC2

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H35N3O3S/c1-17(2)9-14-26(23,24)19-20-15-18(22(19)12-13-25-3)16-21-10-7-5-4-6-8-11-21/h15,17H,4-14,16H2,1-3H3/p+1