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

Systemtic Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoylamino]propanoate hydrochloride Openeye Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]acetyl]amino]propanoate hydrochloride CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-oxoethyl]amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]acetyl]amino]propanoate hydrochloride Traditional Name: 3-[[2-[1-(4-amidinophenyl)-4-piperidyl]acetyl]amino]propionic acid methyl ester hydrochloride Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCNC(=O)CC1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C18H26N4O3.ClH/c1-25-17(24)6-9-21-16(23)12-13-7-10-22(11-8-13)15-4-2-14(3-5-15)18(19)20;/h2-5,13H,6-12H2,1H3,(H3,19,20)(H,21,23);1H