(2R)-2-(acridin-10-ium-9-ylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-(9-acridin-10-iumylamino)-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-(acridin-10-ium-9-ylamino)-3-(4-hydroxyphenyl)propionate Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC(CC4=CC=C(C=C4)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N[C@H](CC4=CC=C(C=C4)O)C(=O)[O-]

InChI

InChI=1S/C22H18N2O3/c25-15-11-9-14(10-12-15)13-20(22(26)27)24-21-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)21/h1-12,20,25H,13H2,(H,23,24)(H,26,27)/t20-/m1/s1