2-[4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[4-(cyclopropylamino)-3-nitrobenzoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C19H28N5O5+ MolecularWeight: 406.45612

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O5/c1-29-11-6-20-18(25)13-22-7-9-23(10-8-22)19(26)14-2-5-16(21-15-3-4-15)17(12-14)24(27)28/h2,5,12,15,21H,3-4,6-11,13H2,1H3,(H,20,25)/p+1