(4-tert-butylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride

Systemtic Name: (4-tert-butylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride Openeye Name: (4-tert-butylphenyl) 3-(1-carbamimidoyl-3-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-3-piperidinyl)propanoic acid (4-tert-butylphenyl) ester hydrochloride IUPAC Name: (4-tert-butylphenyl) 3-(1-carbamimidoylpiperidin-3-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-3-piperidyl)propionic acid (4-tert-butylphenyl) ester hydrochloride Formula: C19H30ClN3O2 MolecularWeight: 367.9134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCC2CCCN(C2)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCC2CCCN(C2)C(=N)N.Cl

InChI

InChI=1S/C19H29N3O2.ClH/c1-19(2,3)15-7-9-16(10-8-15)24-17(23)11-6-14-5-4-12-22(13-14)18(20)21;/h7-10,14H,4-6,11-13H2,1-3H3,(H3,20,21);1H