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

Systemtic Name: 2-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[3-nitro-4-(1-piperidyl)benzoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(3-nitro-4-piperidino-benzoyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H32N5O4+ MolecularWeight: 418.50988

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c1-2-8-22-20(27)16-23-11-13-25(14-12-23)21(28)17-6-7-18(19(15-17)26(29)30)24-9-4-3-5-10-24/h6-7,15H,2-5,8-14,16H2,1H3,(H,22,27)/p+1