4-[(3-azanyl-4-methyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 4-[(3-azanyl-4-methyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: 4-[(3-amino-4-methyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-amino-4-methylphenyl)methyl]-1-piperazinecarboxylate IUPAC Name: 4-[(3-amino-4-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(3-amino-4-methyl-benzyl)piperazine-1-carboxylate Formula: C13H18N3O2- MolecularWeight: 248.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[O-])N

InChI

InChI=1S/C13H19N3O2/c1-10-2-3-11(8-12(10)14)9-15-4-6-16(7-5-15)13(17)18/h2-3,8H,4-7,9,14H2,1H3,(H,17,18)/p-1