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

Systemtic Name: 2-[4-[4-(cyclopropylamino)-3-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[4-(cyclopropylamino)-3-nitrobenzoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[4-(cyclopropylamino)-3-nitro-benzoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C20H30N5O5+ MolecularWeight: 420.4827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O5/c1-30-12-2-7-21-19(26)14-23-8-10-24(11-9-23)20(27)15-3-6-17(22-16-4-5-16)18(13-15)25(28)29/h3,6,13,16,22H,2,4-5,7-12,14H2,1H3,(H,21,26)/p+1