[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)CO

InChI

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