1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S/c1-3-5-13-24-20(16-22-21(24)27(25,26)4-2)17-23-14-11-19(12-15-23)18-9-7-6-8-10-18/h6-11,16H,3-5,12-15,17H2,1-2H3/p+1