[(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxy-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(4-isopropoxy-3-methoxy-phenyl)ethyl]-dipropyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O2/c1-6-10-20(11-7-2)16(13-19)15-8-9-17(22-14(3)4)18(12-15)21-5/h8-9,12,14,16H,6-7,10-11,13,19H2,1-5H3/p+2/t16-/m1/s1