propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]butanoate dihydrochloride

Systemtic Name: propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]butanoate dihydrochloride Openeye Name: isopropyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methyl-amino]butanoate dihydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-methylamino]butanoic acid propan-2-yl ester dihydrochloride IUPAC Name: propan-2-yl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methylamino]butanoate dihydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-methyl-amino]butyric acid isopropyl ester dihydrochloride Formula: C21H34Cl2N4O3 MolecularWeight: 461.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCN(C)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl

Isomeric SMILES

CC(C)OC(=O)CCCN(C)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H32N4O3.2ClH/c1-15(2)28-19(26)5-4-12-24(3)21(27)17-10-13-25(14-11-17)18-8-6-16(7-9-18)20(22)23;;/h6-9,15,17H,4-5,10-14H2,1-3H3,(H3,22,23);2*1H