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

Systemtic Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium CAS Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]azocan-1-ium Formula: C21H38N3O3S+ MolecularWeight: 412.60972

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCCCCCC3

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)C2CCCCCC2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C21H37N3O3S/c1-27-16-15-24-19(18-23-13-9-5-2-6-10-14-23)17-22-21(24)28(25,26)20-11-7-3-4-8-12-20/h17,20H,2-16,18H2,1H3/p+1