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

Systemtic Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethylamino]propanoate hydrochloride Openeye Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]ethylamino]propanoate hydrochloride CAS Name: 3-[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]ethylamino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethylamino]propanoate hydrochloride Traditional Name: 3-[2-[1-(4-amidinophenyl)-4-piperidyl]ethylamino]propionic acid methyl ester hydrochloride Formula: C18H29ClN4O2 MolecularWeight: 368.90146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCCC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCNCCC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H28N4O2.ClH/c1-24-17(23)7-11-21-10-6-14-8-12-22(13-9-14)16-4-2-15(3-5-16)18(19)20;/h2-5,14,21H,6-13H2,1H3,(H3,19,20);1H