[(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxy-butyl]azanium

Systemtic Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxy-butyl]azanium Openeye Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxy-butyl]ammonium CAS Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxybutyl]ammonium IUPAC Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxybutyl]azanium Traditional Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-phenoxy-butyl]ammonium Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-20-15-10-11-17(21-2)16(13-15)18(9-6-12-19)22-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18H,6,9,12,19H2,1-2H3/p+1/t18-/m0/s1