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

Systemtic Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-diethoxyanilino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H31N4O4+ MolecularWeight: 427.51664

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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=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-3-30-20-11-10-18(16-21(20)31-4-2)24-23(29)25-22(28)17-26-12-14-27(15-13-26)19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17H2,1-2H3,(H2,24,25,28,29)/p+1