[(1S)-2-azaniumyl-1-[2-[3-(dimethylazaniumyl)propoxy]phenyl]ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[2-[3-(dimethylazaniumyl)propoxy]phenyl]ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[2-[3-(dimethylammonio)propoxy]phenyl]ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-[2-[3-(dimethylammonio)propoxy]phenyl]ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[2-[3-(dimethylazaniumyl)propoxy]phenyl]ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-[2-[3-(dimethylammonio)propoxy]phenyl]ethyl]-dipropyl-ammonium Formula: C19H38N3O+3 MolecularWeight: 324.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC=CC=C1OCCC[NH+](C)C

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC=CC=C1OCCC[NH+](C)C

InChI

InChI=1S/C19H35N3O/c1-5-12-22(13-6-2)18(16-20)17-10-7-8-11-19(17)23-15-9-14-21(3)4/h7-8,10-11,18H,5-6,9,12-16,20H2,1-4H3/p+3/t18-/m1/s1