[(1S)-2-azaniumyl-1-(3-phenylmethoxyphenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-phenylmethoxyphenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-benzyloxyphenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-phenylmethoxyphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-phenylmethoxyphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-benzoxyphenyl)ethyl]-dipropyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O/c1-3-13-23(14-4-2)21(16-22)19-11-8-12-20(15-19)24-17-18-9-6-5-7-10-18/h5-12,15,21H,3-4,13-14,16-17,22H2,1-2H3/p+2/t21-/m1/s1