[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-phenethyl-(4-pyridylmethyl)ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-phenethyl-(4-pyridylmethyl)ammonium Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C[C@@H](CC1=CC2=C(C=C1)OCO2)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H28N2O2/c1-20(15-23-7-8-24-25(16-23)29-19-28-24)17-27(18-22-9-12-26-13-10-22)14-11-21-5-3-2-4-6-21/h2-10,12-13,16,20H,11,14-15,17-19H2,1H3/p+1/t20-/m0/s1