ethyl 2-[[2-ethoxycarbonyl-2-(piperidin-1-ium-1-ylmethyl)butanoyl]carbamoylcarbamoyl]-2-(piperidin-1-ium-1-ylmethyl)butanoate dichloride

Systemtic Name: ethyl 2-[[2-ethoxycarbonyl-2-(piperidin-1-ium-1-ylmethyl)butanoyl]carbamoylcarbamoyl]-2-(piperidin-1-ium-1-ylmethyl)butanoate dichloride Openeye Name: ethyl 2-[[2-ethoxycarbonyl-2-(piperidin-1-ium-1-ylmethyl)butanoyl]carbamoylcarbamoyl]-2-(piperidin-1-ium-1-ylmethyl)butanoate dichloride CAS Name: 2-[[[[[2-ethoxycarbonyl-1-oxo-2-(1-piperidin-1-iumylmethyl)butyl]amino]-oxomethyl]amino]-oxomethyl]-2-(1-piperidin-1-iumylmethyl)butanoic acid ethyl ester dichloride IUPAC Name: ethyl 2-[[2-ethoxycarbonyl-2-(piperidin-1-ium-1-ylmethyl)butanoyl]carbamoylcarbamoyl]-2-(piperidin-1-ium-1-ylmethyl)butanoate dichloride Traditional Name: 2-[[2-carbethoxy-2-(piperidin-1-ium-1-ylmethyl)butanoyl]carbamoylcarbamoyl]-2-(piperidin-1-ium-1-ylmethyl)butyric acid ethyl ester dichloride Formula: C27H48Cl2N4O7 MolecularWeight: 611.59862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+]1CCCCC1)(C(=O)NC(=O)NC(=O)C(CC)(C[NH+]2CCCCC2)C(=O)OCC)C(=O)OCC.[Cl-].[Cl-]

Isomeric SMILES

CCC(C[NH+]1CCCCC1)(C(=O)NC(=O)NC(=O)C(CC)(C[NH+]2CCCCC2)C(=O)OCC)C(=O)OCC.[Cl-].[Cl-]

InChI

InChI=1S/C27H46N4O7.2ClH/c1-5-26(23(34)37-7-3,19-30-15-11-9-12-16-30)21(32)28-25(36)29-22(33)27(6-2,24(35)38-8-4)20-31-17-13-10-14-18-31;;/h5-20H2,1-4H3,(H2,28,29,32,33,36);2*1H