(4-tert-butylphenyl) 2-(1-carbamimidoylpiperidin-4-yl)ethanoate hydrochloride

Systemtic Name: (4-tert-butylphenyl) 2-(1-carbamimidoylpiperidin-4-yl)ethanoate hydrochloride Openeye Name: (4-tert-butylphenyl) 2-(1-carbamimidoyl-4-piperidyl)acetate hydrochloride CAS Name: 2-(1-carbamimidoyl-4-piperidinyl)acetic acid (4-tert-butylphenyl) ester hydrochloride IUPAC Name: (4-tert-butylphenyl) 2-(1-carbamimidoylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-(1-amidino-4-piperidyl)acetic acid (4-tert-butylphenyl) ester hydrochloride Formula: C18H28ClN3O2 MolecularWeight: 353.88682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)CC2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)CC2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C18H27N3O2.ClH/c1-18(2,3)14-4-6-15(7-5-14)23-16(22)12-13-8-10-21(11-9-13)17(19)20;/h4-7,13H,8-12H2,1-3H3,(H3,19,20);1H