1-[2-[(4-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(4-azanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-amino-2-chloro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-amino-2-chloro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C14H18ClN3O3/c15-11-7-10(16)1-2-12(11)17-13(19)8-18-5-3-9(4-6-18)14(20)21/h1-2,7,9H,3-6,8,16H2,(H,17,19)(H,20,21)