[(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-benzyl-isopropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-benzyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-benzyl-isopropyl-ammonium Formula: C20H28N2O2+2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)C(C[NH3+])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)[C@H](C[NH3+])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H26N2O2/c1-15(2)22(14-16-6-4-3-5-7-16)18(13-21)17-8-9-19-20(12-17)24-11-10-23-19/h3-9,12,15,18H,10-11,13-14,21H2,1-2H3/p+2/t18-/m1/s1