(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(quinolin-6-ylmethyl)azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(quinolin-6-ylmethyl)azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-(6-quinolylmethyl)ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-methyl-(6-quinolinylmethyl)ammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-(quinolin-6-ylmethyl)azanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-(6-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=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC3=C(C=C2)N=CC=C3

InChI

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