(4-ethylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c1-2-18-9-11-20(12-10-18)17(22)14-5-6-15(16(13-14)21(23)24)19-7-3-4-8-19/h5-6,13H,2-4,7-12H2,1H3/p+1