[(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-[(4-propan-2-yloxyphenyl)methyl]azanium

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-[(4-isopropoxyphenyl)methyl]ammonium CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-[(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-(4-isopropoxybenzyl)ammonium Formula: C27H32NO3+ MolecularWeight: 418.54788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH2+]CCC(CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH2+]CC[C@H](CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H31NO3/c1-20(2)31-25-11-8-22(9-12-25)18-28-15-14-24(16-21-6-4-3-5-7-21)23-10-13-26-27(17-23)30-19-29-26/h3-13,17,20,24,28H,14-16,18-19H2,1-2H3/p+1/t24-/m1/s1