[(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]azanium

Systemtic Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]azanium Openeye Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]ammonium CAS Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxybutyl]ammonium IUPAC Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxybutyl]azanium Traditional Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]ammonium Formula: C18H24NO3+ MolecularWeight: 302.38806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCC[NH3+])OC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC[NH3+])OC2=CC=CC=C2)OC

InChI

InChI=1S/C18H23NO3/c1-20-17-11-10-14(13-18(17)21-2)16(9-6-12-19)22-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,16H,6,9,12,19H2,1-2H3/p+1/t16-/m0/s1