2-[[5-(aminomethyl)-2-azanyl-phenyl]carbonyl-phenyl-amino]ethanoic acid; 4-oxidanylpiperidine-1-carboxamide; dihydrochloride

Systemtic Name: 2-[[5-(aminomethyl)-2-azanyl-phenyl]carbonyl-phenyl-amino]ethanoic acid; 4-oxidanylpiperidine-1-carboxamide; dihydrochloride Openeye Name: 2-(N-[2-amino-5-(aminomethyl)benzoyl]anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide; dihydrochloride CAS Name: 2-(N-[[2-amino-5-(aminomethyl)phenyl]-oxomethyl]anilino)acetic acid; 4-hydroxy-1-piperidinecarboxamide; dihydrochloride IUPAC Name: 2-(N-[2-amino-5-(aminomethyl)benzoyl]anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide; dihydrochloride Traditional Name: 2-(N-[2-amino-5-(aminomethyl)benzoyl]anilino)acetic acid; 4-hydroxypiperidine-1-carboxamide; dihydrochloride Formula: C22H31Cl2N5O5 MolecularWeight: 516.41804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2)CN)N.Cl.Cl

Isomeric SMILES

C1CN(CCC1O)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=C(C=CC(=C2)CN)N.Cl.Cl

InChI

InChI=1S/C16H17N3O3.C6H12N2O2.2ClH/c17-9-11-6-7-14(18)13(8-11)16(22)19(10-15(20)21)12-4-2-1-3-5-12;7-6(10)8-3-1-5(9)2-4-8;;/h1-8H,9-10,17-18H2,(H,20,21);5,9H,1-4H2,(H2,7,10);2*1H