3H-2-benzofuran-1-one; 2-(1-carbamimidoylpiperidin-4-yl)propanoate; hydrochloride

Systemtic Name: 3H-2-benzofuran-1-one; 2-(1-carbamimidoylpiperidin-4-yl)propanoate; hydrochloride Openeye Name: 2-(1-carbamimidoyl-4-piperidyl)propanoate; 3H-isobenzofuran-1-one; hydrochloride CAS Name: 2-(1-carbamimidoyl-4-piperidinyl)propanoate; 3H-isobenzofuran-1-one; hydrochloride IUPAC Name: 3H-2-benzofuran-1-one; 2-(1-carbamimidoylpiperidin-4-yl)propanoate; hydrochloride Traditional Name: 2-(1-amidino-4-piperidyl)propionate; phthalide; hydrochloride Formula: C17H23ClN3O4- MolecularWeight: 368.83522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C(=N)N)C(=O)[O-].C1C2=CC=CC=C2C(=O)O1.Cl

Isomeric SMILES

CC(C1CCN(CC1)C(=N)N)C(=O)[O-].C1C2=CC=CC=C2C(=O)O1.Cl

InChI

InChI=1S/C9H17N3O2.C8H6O2.ClH/c1-6(8(13)14)7-2-4-12(5-3-7)9(10)11;9-8-7-4-2-1-3-6(7)5-10-8;/h6-7H,2-5H2,1H3,(H3,10,11)(H,13,14);1-4H,5H2;1H/p-1