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

Systemtic Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3S/c1-4-6-10-25-19(16-22-21(25)29(26,27)5-2)17-23-11-13-24(14-12-23)18-8-7-9-20(15-18)28-3/h7-9,15-16H,4-6,10-14,17H2,1-3H3/p+1