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1-ethylazepan-1-ium-1-carbothioic S-acid

1-ethylazepan-1-ium-1-carbothioic S-acid

Systemtic Name:1-ethylazepan-1-ium-1-carbothioic S-acid
Openeye Name:1-ethylazepan-1-ium-1-carbothioic S-acid
CAS Name:1-ethyl-1-azepan-1-iumcarbothioic S-acid
IUPAC Name:1-ethylazepan-1-ium-1-carbothioic S-acid
Traditional Name:1-ethylazepan-1-ium-1-carbothioic S-acid
Formula: C9H18NOS+
MolecularWeight: 188.31032
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCCC1)C(=O)S


Isomeric SMILES

CC[N+]1(CCCCCC1)C(=O)S


InChI

InChI=1S/C9H17NOS/c1-2-10(9(11)12)7-5-3-4-6-8-10/h2-8H2,1H3/p+1


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