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2-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethylazanium

2-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethylazanium

Systemtic Name:2-[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]ethylazanium
Openeye Name:2-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]ethylammonium
CAS Name:2-[4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]ethylammonium
IUPAC Name:2-[4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]ethylazanium
Traditional Name:2-[4-[(3S)-2-ketoazepan-3-yl]oxyphenyl]ethylammonium
Formula: C14H21N2O2+
MolecularWeight: 249.32874
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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)CC[NH3+]


Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=C(C=C2)CC[NH3+]


InChI

InChI=1S/C14H20N2O2/c15-9-8-11-4-6-12(7-5-11)18-13-3-1-2-10-16-14(13)17/h4-7,13H,1-3,8-10,15H2,(H,16,17)/p+1/t13-/m0/s1


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