[2-(3-methoxypropylamino)-5-nitro-phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [2-(3-methoxypropylamino)-5-nitro-phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [2-(3-methoxypropylamino)-5-nitro-phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [2-(3-methoxypropylamino)-5-nitrophenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [2-(3-methoxypropylamino)-5-nitrophenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [2-(3-methoxypropylamino)-5-nitro-phenyl]-piperazin-4-ium-1-yl-methanone Formula: C15H23N4O4+ MolecularWeight: 323.36752

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH2+]CC2

Isomeric SMILES

COCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N4O4/c1-23-10-2-5-17-14-4-3-12(19(21)22)11-13(14)15(20)18-8-6-16-7-9-18/h3-4,11,16-17H,2,5-10H2,1H3/p+1