N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C27H37N4O5+ MolecularWeight: 497.60648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O5/c1-34-25-17-23(7-8-24(25)36-21-22-5-3-2-4-6-22)18-28-26(32)19-29-9-11-30(12-10-29)20-27(33)31-13-15-35-16-14-31/h2-8,17H,9-16,18-21H2,1H3,(H,28,32)/p+1