1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H32N4O4S/c1-29-14-13-26-20(15-23-22(26)31(27,28)17-18-3-4-18)16-24-9-11-25(12-10-24)19-5-7-21(30-2)8-6-19/h5-8,15,18H,3-4,9-14,16-17H2,1-2H3/p+1