ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-1-ium-1-yl]-2-ethoxycarbonyloxy-ethanoate hydrochloride

Systemtic Name: ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-1-ium-1-yl]-2-ethoxycarbonyloxy-ethanoate hydrochloride Openeye Name: ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-1-ium-1-yl]-2-ethoxycarbonyloxy-acetate hydrochloride CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-1-piperidin-1-iumyl]-2-ethoxycarbonyloxyacetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-1-ium-1-yl]-2-ethoxycarbonyloxyacetate hydrochloride Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]piperidin-1-ium-1-yl]-2-carbethoxyoxy-acetic acid ethyl ester hydrochloride Formula: C25H38ClN4O6+ MolecularWeight: 526.04542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C([N+]1(CCCCC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N)OC(=O)OCC.Cl

Isomeric SMILES

CCOC(=O)C([N+]1(CCCCC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N)OC(=O)OCC.Cl

InChI

InChI=1S/C25H37N4O6.ClH/c1-3-33-24(31)23(35-25(32)34-4-2)29(16-6-5-7-17-29)22(30)19-12-14-28(15-13-19)20-10-8-18(9-11-20)21(26)27;/h8-11,19,23H,3-7,12-17H2,1-2H3,(H3,26,27);1H/q+1;