(2R)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenylazanylphenyl)amino]-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-anilinoanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-anilinoanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25N3O3/c25-20(15-19(21(26)27)24-13-5-2-6-14-24)23-18-11-9-17(10-12-18)22-16-7-3-1-4-8-16/h1,3-4,7-12,19,22H,2,5-6,13-15H2,(H,23,25)(H,26,27)/t19-/m1/s1