(4-tert-butyl-2-chloranyl-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride

Systemtic Name: (4-tert-butyl-2-chloranyl-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Openeye Name: (4-tert-butyl-2-chloro-phenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (4-tert-butyl-2-chlorophenyl) ester hydrochloride IUPAC Name: (4-tert-butyl-2-chlorophenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (4-tert-butyl-2-chloro-phenyl) ester hydrochloride Formula: C19H29Cl2N3O2 MolecularWeight: 402.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)CCC2CCN(CC2)C(=N)N)Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)CCC2CCN(CC2)C(=N)N)Cl.Cl

InChI

InChI=1S/C19H28ClN3O2.ClH/c1-19(2,3)14-5-6-16(15(20)12-14)25-17(24)7-4-13-8-10-23(11-9-13)18(21)22;/h5-6,12-13H,4,7-11H2,1-3H3,(H3,21,22);1H