[(1S,2S)-2-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]azanium

Systemtic Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]azanium Openeye Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]ammonium CAS Name: [(1S,2S)-2-(1-azepan-1-iumyl)-1-(4-methoxyphenyl)propyl]ammonium IUPAC Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]azanium Traditional Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OC)[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)OC)[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C16H26N2O/c1-13(18-11-5-3-4-6-12-18)16(17)14-7-9-15(19-2)10-8-14/h7-10,13,16H,3-6,11-12,17H2,1-2H3/p+2/t13-,16+/m0/s1