[(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(4-dimethylaminophenyl)methyl]azanium

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(4-dimethylaminophenyl)methyl]azanium Openeye Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(4-dimethylaminophenyl)methyl]ammonium CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(4-dimethylaminophenyl)methyl]ammonium IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(4-dimethylaminophenyl)methyl]azanium Traditional Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[4-(dimethylamino)benzyl]ammonium Formula: C25H29N2O2+ MolecularWeight: 389.50996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH2+]CCC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH2+]CC[C@H](C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O2/c1-27(2)22-11-8-19(9-12-22)17-26-15-14-23(20-6-4-3-5-7-20)21-10-13-24-25(16-21)29-18-28-24/h3-13,16,23,26H,14-15,17-18H2,1-2H3/p+1/t23-/m1/s1