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

Systemtic Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(4-isopropoxyphenyl)methyl]ammonium CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-(4-isopropoxybenzyl)ammonium Formula: C26H30NO3+ MolecularWeight: 404.5213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3/c1-19(2)30-23-11-8-20(9-12-23)17-27-15-14-24(21-6-4-3-5-7-21)22-10-13-25-26(16-22)29-18-28-25/h3-13,16,19,24,27H,14-15,17-18H2,1-2H3/p+1/t24-/m1/s1