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(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium

(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium

Systemtic Name:(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium
Openeye Name:(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium
CAS Name:(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium
IUPAC Name:(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium
Traditional Name:(2S)-2-[(1R)-1-phenylpropyl]azepan-1-ium
Formula: C15H24N+
MolecularWeight: 218.35776
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC[NH2+]1)C2=CC=CC=C2


Isomeric SMILES

CC[C@@H]([C@@H]1CCCCC[NH2+]1)C2=CC=CC=C2


InChI

InChI=1S/C15H23N/c1-2-14(13-9-5-3-6-10-13)15-11-7-4-8-12-16-15/h3,5-6,9-10,14-16H,2,4,7-8,11-12H2,1H3/p+1/t14-,15+/m1/s1


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