[4-(cyclopropylamino)-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-2-18-7-9-19(10-8-18)16(21)12-3-6-14(17-13-4-5-13)15(11-12)20(22)23/h3,6,11,13,17H,2,4-5,7-10H2,1H3/p+1