methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]butanoate dihydrochloride

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]butanoate dihydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate dihydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate dihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]butyric acid methyl ester dihydrochloride Formula: C18H28Cl2N4O3 MolecularWeight: 419.34592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C18H26N4O3.2ClH/c1-25-16(23)3-2-10-21-18(24)14-8-11-22(12-9-14)15-6-4-13(5-7-15)17(19)20;;/h4-7,14H,2-3,8-12H2,1H3,(H3,19,20)(H,21,24);2*1H