4-[(4-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-p-anisyl-piperazin-4-ium-1-carboxamide Formula: C23H33N5O3+2 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C23H31N5O3/c1-30-21-4-2-19(3-5-21)18-26-8-10-28(11-9-26)23(29)25-17-20-6-7-24-22(16-20)27-12-14-31-15-13-27/h2-7,16H,8-15,17-18H2,1H3,(H,25,29)/p+2