hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate

Systemtic Name: hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate Openeye Name: hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate CAS Name: hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate IUPAC Name: hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate Traditional Name: hydron; 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; chloride; hydrate Formula: C20H26ClNOS MolecularWeight: 363.94454

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.[Cl-]

Isomeric SMILES

[H+].CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.[Cl-]

InChI

InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2