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

Systemtic Name: [1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-4-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+]3CCC(CC3)CO

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC(CC3)CO

InChI

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