[(1S,2R)-2-(azepan-1-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

Systemtic Name: [(1S,2R)-2-(azepan-1-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Openeye Name: [(1S,2R)-2-(azepan-1-ium-1-yl)-6-methoxy-tetralin-1-yl]ammonium CAS Name: [(1S,2R)-2-(1-azepan-1-iumyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ammonium IUPAC Name: [(1S,2R)-2-(azepan-1-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Traditional Name: [(1S,2R)-2-(azepan-1-ium-1-yl)-6-methoxy-tetralin-1-yl]ammonium Formula: C17H28N2O+2 MolecularWeight: 276.41702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CC2)[NH+]3CCCCCC3)[NH3+]

Isomeric SMILES

COC1=CC2=C(C=C1)[C@@H]([C@@H](CC2)[NH+]3CCCCCC3)[NH3+]

InChI

InChI=1S/C17H26N2O/c1-20-14-7-8-15-13(12-14)6-9-16(17(15)18)19-10-4-2-3-5-11-19/h7-8,12,16-17H,2-6,9-11,18H2,1H3/p+2/t16-,17+/m1/s1