(2S)-2-[(4-methoxyphenyl)methyl]azepan-1-ium

Systemtic Name: (2S)-2-[(4-methoxyphenyl)methyl]azepan-1-ium Openeye Name: (2S)-2-[(4-methoxyphenyl)methyl]azepan-1-ium CAS Name: (2S)-2-[(4-methoxyphenyl)methyl]azepan-1-ium IUPAC Name: (2S)-2-[(4-methoxyphenyl)methyl]azepan-1-ium Traditional Name: (2S)-2-p-anisylazepan-1-ium Formula: C14H22NO+ MolecularWeight: 220.33058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CCCCC[NH2+]2

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C14H21NO/c1-16-14-8-6-12(7-9-14)11-13-5-3-2-4-10-15-13/h6-9,13,15H,2-5,10-11H2,1H3/p+1/t13-/m0/s1