(4-imidazol-1-ylphenyl)-[4-(1-oxidanylhexyl)piperidin-1-yl]methanone; methanesulfonic acid

Systemtic Name: (4-imidazol-1-ylphenyl)-[4-(1-oxidanylhexyl)piperidin-1-yl]methanone; methanesulfonic acid Openeye Name: [4-(1-hydroxyhexyl)-1-piperidyl]-(4-imidazol-1-ylphenyl)methanone; methanesulfonic acid CAS Name: [4-(1-hydroxyhexyl)-1-piperidinyl]-[4-(1-imidazolyl)phenyl]methanone; methanesulfonic acid IUPAC Name: [4-(1-hydroxyhexyl)piperidin-1-yl]-(4-imidazol-1-ylphenyl)methanone; methanesulfonic acid Traditional Name: [4-(1-hydroxyhexyl)piperidino]-(4-imidazol-1-ylphenyl)methanone; mesylic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)O.CS(=O)(=O)O

Isomeric SMILES

CCCCCC(C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)O.CS(=O)(=O)O

InChI

InChI=1S/C21H29N3O2.CH4O3S/c1-2-3-4-5-20(25)17-10-13-23(14-11-17)21(26)18-6-8-19(9-7-18)24-15-12-22-16-24;1-5(2,3)4/h6-9,12,15-17,20,25H,2-5,10-11,13-14H2,1H3;1H3,(H,2,3,4)