(1-methylpiperidin-4-yl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate hydrochloride

Systemtic Name: (1-methylpiperidin-4-yl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate hydrochloride Openeye Name: (1-methyl-4-piperidyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate hydrochloride CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (1-methyl-4-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-4-yl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate hydrochloride Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (1-methyl-4-piperidyl) ester hydrochloride Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O.Cl

Isomeric SMILES

CN1CCC(CC1)OC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O.Cl

InChI

InChI=1S/C25H23NO3S.ClH/c1-26-13-11-16(12-14-26)29-23(27)15-30-22-10-9-18-17-5-2-3-6-19(17)25(28)21-8-4-7-20(22)24(18)21;/h2-10,16H,11-15H2,1H3;1H