1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate

Systemtic Name: 1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate Openeye Name: 1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate CAS Name: 1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid; hydrate IUPAC Name: 1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid; hydrate Traditional Name: 1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; mesylic acid; hydrate Formula: C24H36N2O5S2 MolecularWeight: 496.68304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.O

InChI

InChI=1S/C23H30N2OS.CH4O3S.H2O/c1-3-4-15-26-19-9-10-23-20(17-19)21(25-13-11-24(2)12-14-25)16-18-7-5-6-8-22(18)27-23;1-5(2,3)4;/h5-10,17,21H,3-4,11-16H2,1-2H3;1H3,(H,2,3,4);1H2