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1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azepan-1-ium

1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azepan-1-ium

Systemtic Name:1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azepan-1-ium
Openeye Name:1-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]azepan-1-ium
CAS Name:1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azepan-1-ium
IUPAC Name:1-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azepan-1-ium
Traditional Name:1-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]azepan-1-ium
Formula: C19H32NO+
MolecularWeight: 290.46348
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCC[NH+]2CCCCCC2


Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCC[NH+]2CCCCCC2


InChI

InChI=1S/C19H31NO/c1-3-17(2)18-11-6-7-12-19(18)21-16-10-15-20-13-8-4-5-9-14-20/h6-7,11-12,17H,3-5,8-10,13-16H2,1-2H3/p+1/t17-/m0/s1


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