[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-2-16-3-5-17(6-4-16)15-21-11-13-22(14-12-21)20(24)18-7-9-19(10-8-18)23(25)26/h3-10H,2,11-15H2,1H3/p+1