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

Systemtic Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-diethoxyanilino)-oxomethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H31N5O4+2 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC

InChI

InChI=1S/C22H29N5O4/c1-3-30-18-9-8-17(15-19(18)31-4-2)24-22(29)25-21(28)16-26-11-13-27(14-12-26)20-7-5-6-10-23-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H2,24,25,28,29)/p+2