[(1R)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(1R)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-benzyl-isopropyl-ammonium CAS Name: [(1R)-2-ammonio-1-(3,4-dimethoxyphenyl)ethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3,4-dimethoxyphenyl)ethyl]-benzyl-propan-2-ylazanium Traditional Name: [(1R)-2-ammonio-1-(3,4-dimethoxyphenyl)ethyl]-benzyl-isopropyl-ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-15(2)22(14-16-8-6-5-7-9-16)18(13-21)17-10-11-19(23-3)20(12-17)24-4/h5-12,15,18H,13-14,21H2,1-4H3/p+2/t18-/m0/s1