9-(1-methylpiperidin-4-yl)-9-oxidanyl-xanthene-2-carbothialdehyde

Systemtic Name: 9-(1-methylpiperidin-4-yl)-9-oxidanyl-xanthene-2-carbothialdehyde Openeye Name: 9-hydroxy-9-(1-methyl-4-piperidyl)xanthene-2-carbothialdehyde CAS Name: 9-hydroxy-9-(1-methyl-4-piperidinyl)-2-xanthenecarbothioaldehyde IUPAC Name: 9-hydroxy-9-(1-methylpiperidin-4-yl)xanthene-2-carbothialdehyde Traditional Name: 9-hydroxy-9-(1-methyl-4-piperidyl)xanthene-2-carbothialdehyde Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2(C3=CC=CC=C3OC4=C2C=C(C=C4)C=S)O

Isomeric SMILES

CN1CCC(CC1)C2(C3=CC=CC=C3OC4=C2C=C(C=C4)C=S)O

InChI

InChI=1S/C20H21NO2S/c1-21-10-8-15(9-11-21)20(22)16-4-2-3-5-18(16)23-19-7-6-14(13-24)12-17(19)20/h2-7,12-13,15,22H,8-11H2,1H3