[(3S)-3-(azepan-1-ium-1-yl)-3-(4-methoxyphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-methoxyphenyl)propyl]azanium Openeye Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-methoxyphenyl)propyl]ammonium CAS Name: [(3S)-3-(1-azepan-1-iumyl)-3-(4-methoxyphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-methoxyphenyl)propyl]azanium Traditional Name: [(3S)-3-(azepan-1-ium-1-yl)-3-(4-methoxyphenyl)propyl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C16H26N2O/c1-19-15-8-6-14(7-9-15)16(10-11-17)18-12-4-2-3-5-13-18/h6-9,16H,2-5,10-13,17H2,1H3/p+2/t16-/m0/s1