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

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-[(4-chlorophenyl)methyl]azanium Openeye Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-[(4-chlorophenyl)methyl]ammonium CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-[(4-chlorophenyl)methyl]ammonium IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]-[(4-chlorophenyl)methyl]azanium Traditional Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-(4-chlorobenzyl)ammonium Formula: C24H25ClNO2+ MolecularWeight: 394.9138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC[NH2+]CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CC[NH2+]CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClNO2/c25-22-9-6-19(7-10-22)16-26-13-12-21(14-18-4-2-1-3-5-18)20-8-11-23-24(15-20)28-17-27-23/h1-11,15,21,26H,12-14,16-17H2/p+1/t21-/m0/s1