2-(pyridin-4-ylcarbonylamino)ethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: 2-(pyridine-4-carbonylamino)ethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: 2-isonicotinamidoethyl-(2,3,4-trimethoxybenzyl)ammonium Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH2+]CCNC(=O)C2=CC=NC=C2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH2+]CCNC(=O)C2=CC=NC=C2)OC)OC

InChI

InChI=1S/C18H23N3O4/c1-23-15-5-4-14(16(24-2)17(15)25-3)12-20-10-11-21-18(22)13-6-8-19-9-7-13/h4-9,20H,10-12H2,1-3H3,(H,21,22)/p+1