[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-3-12(2)16-8-10-17(11-9-16)15(19)13-4-6-14(7-5-13)18(20)21/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1