2-(2-chloranylacridin-9-yl)sulfanylethanoate; piperidin-1-ium

Systemtic Name: 2-(2-chloranylacridin-9-yl)sulfanylethanoate; piperidin-1-ium Openeye Name: 2-(2-chloroacridin-9-yl)sulfanylacetate; piperidin-1-ium CAS Name: 2-[(2-chloro-9-acridinyl)thio]acetate; piperidin-1-ium IUPAC Name: 2-(2-chloroacridin-9-yl)sulfanylacetate; piperidin-1-ium Traditional Name: 2-[(2-chloroacridin-9-yl)thio]acetate; piperidin-1-ium Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SCC(=O)[O-]

Isomeric SMILES

C1CC[NH2+]CC1.C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SCC(=O)[O-]

InChI

InChI=1S/C15H10ClNO2S.C5H11N/c16-9-5-6-13-11(7-9)15(20-8-14(18)19)10-3-1-2-4-12(10)17-13;1-2-4-6-5-3-1/h1-7H,8H2,(H,18,19);6H,1-5H2