(2R)-2-(acridin-10-ium-9-ylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-(acridin-10-ium-9-ylamino)-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-(acridin-10-ium-9-ylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(9-acridin-10-iumylamino)-4-(methylthio)butanoate IUPAC Name: (2R)-2-(acridin-10-ium-9-ylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(acridin-10-ium-9-ylamino)-4-(methylthio)butyrate Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=C2C=CC=CC2=[NH+]C3=CC=CC=C31

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=C2C=CC=CC2=[NH+]C3=CC=CC=C31

InChI

InChI=1S/C18H18N2O2S/c1-23-11-10-16(18(21)22)20-17-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)17/h2-9,16H,10-11H2,1H3,(H,19,20)(H,21,22)/t16-/m1/s1