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

Systemtic Name: (2S)-2-(4-phenoxyphenyl)azepan-1-ium Openeye Name: (2S)-2-(4-phenoxyphenyl)azepan-1-ium CAS Name: (2S)-2-(4-phenoxyphenyl)azepan-1-ium IUPAC Name: (2S)-2-(4-phenoxyphenyl)azepan-1-ium Traditional Name: (2S)-2-(4-phenoxyphenyl)azepan-1-ium Formula: C18H22NO+ MolecularWeight: 268.37338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC[C@H]([NH2+]CC1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H21NO/c1-3-7-16(8-4-1)20-17-12-10-15(11-13-17)18-9-5-2-6-14-19-18/h1,3-4,7-8,10-13,18-19H,2,5-6,9,14H2/p+1/t18-/m0/s1