(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (3-allyl-4-ethoxy-5-methoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]C(C)C2=CC=CC=C2)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+][C@H](C)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C21H27NO2/c1-5-10-19-13-17(14-20(23-4)21(19)24-6-2)15-22-16(3)18-11-8-7-9-12-18/h5,7-9,11-14,16,22H,1,6,10,15H2,2-4H3/p+1/t16-/m1/s1