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

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Openeye Name: (4-methoxyphenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: (4-methoxyphenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-4-13(2)17-9-11-18(12-10-17)16(19)14-5-7-15(20-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3/p+1/t13-/m0/s1