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

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-3-17(2)22-13-15-23(16-14-22)21(24)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3/p+1/t17-/m0/s1