(2S)-2-(4-ethoxyphenyl)azepan-1-ium

Systemtic Name: (2S)-2-(4-ethoxyphenyl)azepan-1-ium Openeye Name: (2S)-2-(4-ethoxyphenyl)azepan-1-ium CAS Name: (2S)-2-(4-ethoxyphenyl)azepan-1-ium IUPAC Name: (2S)-2-(4-ethoxyphenyl)azepan-1-ium Traditional Name: (2S)-2-p-phenetylazepan-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCCC[NH2+]2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C14H21NO/c1-2-16-13-9-7-12(8-10-13)14-6-4-3-5-11-15-14/h7-10,14-15H,2-6,11H2,1H3/p+1/t14-/m0/s1