(2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride

Systemtic Name: (2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Openeye Name: (2,6-dimethylphenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (2,6-dimethylphenyl) ester hydrochloride IUPAC Name: (2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (2,6-dimethylphenyl) ester hydrochloride Formula: C17H26ClN3O2 MolecularWeight: 339.86024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCC2CCN(CC2)C(=N)N.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCC2CCN(CC2)C(=N)N.Cl

InChI

InChI=1S/C17H25N3O2.ClH/c1-12-4-3-5-13(2)16(12)22-15(21)7-6-14-8-10-20(11-9-14)17(18)19;/h3-5,14H,6-11H2,1-2H3,(H3,18,19);1H