(2R)-2-[2-(acridin-10-ium-9-ylamino)ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[2-(acridin-10-ium-9-ylamino)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: (2R)-2-[[2-(acridin-10-ium-9-ylamino)acetyl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[2-(9-acridin-10-iumylamino)-1-oxoethyl]amino]-3-hydroxypropanoate IUPAC Name: (2R)-2-[[2-(acridin-10-ium-9-ylamino)acetyl]amino]-3-hydroxypropanoate Traditional Name: (2R)-2-[[2-(acridin-10-ium-9-ylamino)acetyl]amino]-3-hydroxy-propionate Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c22-10-15(18(24)25)21-16(23)9-19-17-11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)17/h1-8,15,22H,9-10H2,(H,19,20)(H,21,23)(H,24,25)/t15-/m1/s1