methyl 3-[3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-2-oxidanylidene-imidazol-1-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-2-oxidanylidene-imidazol-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-[1-(4-carbamimidoylphenyl)-4-piperidyl]-2-oxo-imidazol-1-yl]propanoate hydrochloride CAS Name: 3-[3-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-2-oxo-1-imidazolyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-[1-(4-carbamimidoylphenyl)piperidin-4-yl]-2-oxoimidazol-1-yl]propanoate hydrochloride Traditional Name: 3-[3-[1-(4-amidinophenyl)-4-piperidyl]-2-keto-4-imidazolin-1-yl]propionic acid methyl ester hydrochloride Formula: C19H26ClN5O3 MolecularWeight: 407.89444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=CN(C1=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCN1C=CN(C1=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C19H25N5O3.ClH/c1-27-17(25)8-11-23-12-13-24(19(23)26)16-6-9-22(10-7-16)15-4-2-14(3-5-15)18(20)21;/h2-5,12-13,16H,6-11H2,1H3,(H3,20,21);1H