(3S)-3-(methoxymethyl)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(methoxymethyl)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-3-(methoxymethyl)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium CAS Name: (3S)-3-(methoxymethyl)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-(methoxymethyl)-1-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-1-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O3S/c1-27-17-19-11-6-12-23(15-19)16-20-14-22-21(28(2,25)26)24(20)13-7-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15-17H2,1-2H3/p+1/t19-/m0/s1