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

Systemtic Name: [(1S)-2-azaniumyl-1-[3-[(4-methylphenyl)methoxy]phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[3-(p-tolylmethoxy)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[3-[(4-methylphenyl)methoxy]phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[3-[(4-methylphenyl)methoxy]phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[3-(4-methylbenzyl)oxyphenyl]ethyl]-butyl-methyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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