(2R)-2-azanyl-3-phenyl-propanoic acid; 4-(phenylmethyl)piperazine-1-carboxamide; dihydrochloride

Systemtic Name: (2R)-2-azanyl-3-phenyl-propanoic acid; 4-(phenylmethyl)piperazine-1-carboxamide; dihydrochloride Openeye Name: (2R)-2-amino-3-phenyl-propanoic acid; 4-benzylpiperazine-1-carboxamide; dihydrochloride CAS Name: (2R)-2-amino-3-phenylpropanoic acid; 4-(phenylmethyl)-1-piperazinecarboxamide; dihydrochloride IUPAC Name: (2R)-2-amino-3-phenylpropanoic acid; 4-benzylpiperazine-1-carboxamide; dihydrochloride Traditional Name: (2R)-2-amino-3-phenyl-propionic acid; 4-benzylpiperazine-1-carboxamide; dihydrochloride Formula: C21H30Cl2N4O3 MolecularWeight: 457.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)N.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)N.C1=CC=C(C=C1)C[C@H](C(=O)O)N.Cl.Cl

InChI

InChI=1S/C12H17N3O.C9H11NO2.2ClH/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11;10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5H,6-10H2,(H2,13,16);1-5,8H,6,10H2,(H,11,12);2*1H/t;8-;;/m.1../s1