[(1S)-2-azaniumyl-1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[4-(m-tolylmethoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[4-(3-methylbenzyl)oxyphenyl]ethyl]-diethyl-ammonium Formula: C20H30N2O+2 MolecularWeight: 314.465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-4-22(5-2)20(14-21)18-9-11-19(12-10-18)23-15-17-8-6-7-16(3)13-17/h6-13,20H,4-5,14-15,21H2,1-3H3/p+2/t20-/m1/s1