[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Openeye Name: (3-chlorophenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: (3-chlorophenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone Formula: C15H22ClN2O+ MolecularWeight: 281.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-3-12(2)17-7-9-18(10-8-17)15(19)13-5-4-6-14(16)11-13/h4-6,11-12H,3,7-10H2,1-2H3/p+1/t12-/m0/s1