[5-fluoranyl-2-methyl-1-(3-piperazin-1-ylpropyl)indol-3-yl]-(4-methoxyphenyl)methanone; methanesulfonic acid

Systemtic Name: [5-fluoranyl-2-methyl-1-(3-piperazin-1-ylpropyl)indol-3-yl]-(4-methoxyphenyl)methanone; methanesulfonic acid Openeye Name: [5-fluoro-2-methyl-1-(3-piperazin-1-ylpropyl)indol-3-yl]-(4-methoxyphenyl)methanone; methanesulfonic acid CAS Name: [5-fluoro-2-methyl-1-[3-(1-piperazinyl)propyl]-3-indolyl]-(4-methoxyphenyl)methanone; methanesulfonic acid IUPAC Name: [5-fluoro-2-methyl-1-(3-piperazin-1-ylpropyl)indol-3-yl]-(4-methoxyphenyl)methanone; methanesulfonic acid Traditional Name: [5-fluoro-2-methyl-1-(3-piperazinopropyl)indol-3-yl]-(4-methoxyphenyl)methanone; mesylic acid Formula: C26H36FN3O8S2 MolecularWeight: 601.707743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCN3CCNCC3)C=CC(=C2)F)C(=O)C4=CC=C(C=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CCCN3CCNCC3)C=CC(=C2)F)C(=O)C4=CC=C(C=C4)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C24H28FN3O2.2CH4O3S/c1-17-23(24(29)18-4-7-20(30-2)8-5-18)21-16-19(25)6-9-22(21)28(17)13-3-12-27-14-10-26-11-15-27;2*1-5(2,3)4/h4-9,16,26H,3,10-15H2,1-2H3;2*1H3,(H,2,3,4)