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

Systemtic Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoyl-methyl-amino]propanoate hydrochloride Openeye Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]acetyl]-methyl-amino]propanoate hydrochloride CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-oxoethyl]-methylamino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]acetyl]-methylamino]propanoate hydrochloride Traditional Name: 3-[[2-[1-(4-amidinophenyl)-4-piperidyl]acetyl]-methyl-amino]propionic acid methyl ester hydrochloride Formula: C19H29ClN4O3 MolecularWeight: 396.91156

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)OC)C(=O)CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CN(CCC(=O)OC)C(=O)CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C19H28N4O3.ClH/c1-22(10-9-18(25)26-2)17(24)13-14-7-11-23(12-8-14)16-5-3-15(4-6-16)19(20)21;/h3-6,14H,7-13H2,1-2H3,(H3,20,21);1H