(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(quinolin-5-ylmethyl)azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(quinolin-5-ylmethyl)azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(5-quinolylmethyl)ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-methyl-(5-quinolinylmethyl)ammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(quinolin-5-ylmethyl)azanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-(5-quinolylmethyl)ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C21H28N4O2S/c1-4-6-13-25-18(14-23-21(25)28(26,27)5-2)16-24(3)15-17-9-7-11-20-19(17)10-8-12-22-20/h7-12,14H,4-6,13,15-16H2,1-3H3/p+1