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1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium

1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium

Systemtic Name:1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
Openeye Name:1-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]azepan-1-ium
CAS Name:1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
IUPAC Name:1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
Traditional Name:1-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]azepan-1-ium
Formula: C20H34NO+
MolecularWeight: 304.49006
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCC[NH+]2CCCCCC2


Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH+]2CCCCCC2


InChI

InChI=1S/C20H33NO/c1-3-18(2)19-12-6-7-13-20(19)22-17-11-10-16-21-14-8-4-5-9-15-21/h6-7,12-13,18H,3-5,8-11,14-17H2,1-2H3/p+1/t18-/m0/s1


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