2-[1-carbamimidoyl-2-(2-methylphenyl)piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-carbamimidoyl-2-(2-methylphenyl)piperidin-4-yl]propanoic acid Openeye Name: 2-[1-carbamimidoyl-2-(o-tolyl)-4-piperidyl]propanoic acid CAS Name: 2-[1-carbamimidoyl-2-(2-methylphenyl)-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-carbamimidoyl-2-(2-methylphenyl)piperidin-4-yl]propanoic acid Traditional Name: 2-[1-amidino-2-(o-tolyl)-4-piperidyl]propionic acid Formula: C16H23N3O2 MolecularWeight: 289.37272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(CCN2C(=N)N)C(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2CC(CCN2C(=N)N)C(C)C(=O)O

InChI

InChI=1S/C16H23N3O2/c1-10-5-3-4-6-13(10)14-9-12(11(2)15(20)21)7-8-19(14)16(17)18/h3-6,11-12,14H,7-9H2,1-2H3,(H3,17,18)(H,20,21)