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

Systemtic Name: [(1S,2S)-2-(azocan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]azanium Openeye Name: [(1S,2S)-2-(azocan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]ammonium CAS Name: [(1S,2S)-2-(1-azocan-1-iumyl)-1-(4-methoxyphenyl)propyl]ammonium IUPAC Name: [(1S,2S)-2-(azocan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]azanium Traditional Name: [(1S,2S)-2-(azocan-1-ium-1-yl)-1-(4-methoxyphenyl)propyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)OC)[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)OC)[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C17H28N2O/c1-14(19-12-6-4-3-5-7-13-19)17(18)15-8-10-16(20-2)11-9-15/h8-11,14,17H,3-7,12-13,18H2,1-2H3/p+2/t14-,17+/m0/s1