(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]ammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]azanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-[(3-methyl-1H-indol-2-yl)methyl]ammonium Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=C(C3=CC=CC=C3N2)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=C(C3=CC=CC=C3N2)C

InChI

InChI=1S/C21H30N4O2S/c1-5-7-12-25-17(13-22-21(25)28(26,27)6-2)14-24(4)15-20-16(3)18-10-8-9-11-19(18)23-20/h8-11,13,23H,5-7,12,14-15H2,1-4H3/p+1