[4-(3,5-dimethoxy-4-propan-2-yloxy-phenyl)phenyl]-(4-propylpiperazin-1-yl)methanone; methanesulfonic acid

Systemtic Name: [4-(3,5-dimethoxy-4-propan-2-yloxy-phenyl)phenyl]-(4-propylpiperazin-1-yl)methanone; methanesulfonic acid Openeye Name: [4-(4-isopropoxy-3,5-dimethoxy-phenyl)phenyl]-(4-propylpiperazin-1-yl)methanone; methanesulfonic acid CAS Name: [4-(3,5-dimethoxy-4-propan-2-yloxyphenyl)phenyl]-(4-propyl-1-piperazinyl)methanone; methanesulfonic acid IUPAC Name: [4-(3,5-dimethoxy-4-propan-2-yloxyphenyl)phenyl]-(4-propylpiperazin-1-yl)methanone; methanesulfonic acid Traditional Name: [4-(4-isopropoxy-3,5-dimethoxy-phenyl)phenyl]-(4-propylpiperazino)methanone; mesylic acid Formula: C27H42N2O10S2 MolecularWeight: 618.75978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC(C)C)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC(C)C)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C25H34N2O4.2CH4O3S/c1-6-11-26-12-14-27(15-13-26)25(28)20-9-7-19(8-10-20)21-16-22(29-4)24(31-18(2)3)23(17-21)30-5;2*1-5(2,3)4/h7-10,16-18H,6,11-15H2,1-5H3;2*1H3,(H,2,3,4)