2-(3,4-dimethoxyphenyl)ethyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-nitrophenyl)methyl]azanium Traditional Name: homoveratryl-(4-nitrobenzyl)ammonium Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H20N2O4/c1-22-16-8-5-13(11-17(16)23-2)9-10-18-12-14-3-6-15(7-4-14)19(20)21/h3-8,11,18H,9-10,12H2,1-2H3/p+1