2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[(3,4-diethoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)OCC

InChI

InChI=1S/C21H30N4O5/c1-3-29-17-8-7-16(13-18(17)30-4-2)22-21(28)23-19(26)14-24-9-11-25(12-10-24)20(27)15-5-6-15/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H2,22,23,26,28)/p+1