[(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(3-methylphenoxy)phenyl]ethyl]-dipropyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC=C(C=C1)OC2=CC=CC(=C2)C

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC=C(C=C1)OC2=CC=CC(=C2)C

InChI

InChI=1S/C21H30N2O/c1-4-13-23(14-5-2)21(16-22)18-9-11-19(12-10-18)24-20-8-6-7-17(3)15-20/h6-12,15,21H,4-5,13-14,16,22H2,1-3H3/p+2/t21-/m1/s1