pentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate dihydrochloride

Systemtic Name: pentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate dihydrochloride Openeye Name: pentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetate dihydrochloride CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid pentyl ester dihydrochloride IUPAC Name: pentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetate dihydrochloride Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetic acid amyl ester dihydrochloride Formula: C25H40Cl2N4O3 MolecularWeight: 515.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CCCCCOC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C25H38N4O3.2ClH/c1-2-3-4-17-32-23(30)18-19-9-13-29(14-10-19)25(31)21-11-15-28(16-12-21)22-7-5-20(6-8-22)24(26)27;;/h5-8,19,21H,2-4,9-18H2,1H3,(H3,26,27);2*1H