[(1R)-3-(azepan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)propyl]azanium

Systemtic Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)propyl]azanium Openeye Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)propyl]ammonium CAS Name: [(1R)-3-(1-azepan-1-iumyl)-1-(3,4-dimethoxyphenyl)propyl]ammonium IUPAC Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)propyl]azanium Traditional Name: [(1R)-3-(azepan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)propyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-20-16-8-7-14(13-17(16)21-2)15(18)9-12-19-10-5-3-4-6-11-19/h7-8,13,15H,3-6,9-12,18H2,1-2H3/p+2/t15-/m1/s1