(4-tert-butylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride

Systemtic Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Openeye Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid (4-tert-butylphenyl) ester hydrochloride IUPAC Name: (4-tert-butylphenyl) 1-carbamimidoylpiperidine-4-carboxylate hydrochloride Traditional Name: 1-amidinoisonipecotic acid (4-tert-butylphenyl) ester hydrochloride Formula: C17H26ClN3O2 MolecularWeight: 339.86024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C17H25N3O2.ClH/c1-17(2,3)13-4-6-14(7-5-13)22-15(21)12-8-10-20(11-9-12)16(18)19;/h4-7,12H,8-11H2,1-3H3,(H3,18,19);1H