(4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate hydrochloride

Systemtic Name: (4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate hydrochloride Openeye Name: (4-tert-butylphenyl) 4-(1-carbamimidoyl-4-piperidyl)butanoate hydrochloride CAS Name: 4-(1-carbamimidoyl-4-piperidinyl)butanoic acid (4-tert-butylphenyl) ester hydrochloride IUPAC Name: (4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate hydrochloride Traditional Name: 4-(1-amidino-4-piperidyl)butyric acid (4-tert-butylphenyl) ester hydrochloride Formula: C20H32ClN3O2 MolecularWeight: 381.93998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCC2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCC2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C20H31N3O2.ClH/c1-20(2,3)16-7-9-17(10-8-16)25-18(24)6-4-5-15-11-13-23(14-12-15)19(21)22;/h7-10,15H,4-6,11-14H2,1-3H3,(H3,21,22);1H