[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)-4-imidazolyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-methyl-(2-thenyl)ammonium Formula: C21H32N3O2S2+ MolecularWeight: 422.62768

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC2=CN=C(N2CC3CCCCC3)S(=O)(=O)CC4CC4

InChI

InChI=1S/C21H31N3O2S2/c1-23(15-20-8-5-11-27-20)14-19-12-22-21(28(25,26)16-18-9-10-18)24(19)13-17-6-3-2-4-7-17/h5,8,11-12,17-18H,2-4,6-7,9-10,13-16H2,1H3/p+1