[4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]methylazanium

Systemtic Name: [4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]methylazanium Openeye Name: [4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methylammonium CAS Name: [4-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]phenyl]methylammonium IUPAC Name: [4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methylazanium Traditional Name: [4-(homoveratroylamino)benzyl]ammonium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[NH3+])OC

InChI

InChI=1S/C17H20N2O3/c1-21-15-8-5-13(9-16(15)22-2)10-17(20)19-14-6-3-12(11-18)4-7-14/h3-9H,10-11,18H2,1-2H3,(H,19,20)/p+1