1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-(5-chloro-2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium Formula: C21H32ClN4O2S+ MolecularWeight: 440.02238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2S/c1-4-6-9-26-19(15-23-21(26)29(27,28)5-2)16-24-10-12-25(13-11-24)20-14-18(22)8-7-17(20)3/h7-8,14-15H,4-6,9-13,16H2,1-3H3/p+1