(3-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-(2-nicotinamidoethyl)ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCNC(=O)C2=CN=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCNC(=O)C2=CN=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-28-22-14-19(9-10-21(22)29-17-18-6-3-2-4-7-18)15-25-12-13-26-23(27)20-8-5-11-24-16-20/h2-11,14,16,25H,12-13,15,17H2,1H3,(H,26,27)/p+1