2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]-N-phenethyl-acetamide CAS Name: 2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyridinyl]-N-phenethylacetamide IUPAC Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]-N-phenethyl-acetamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-34-26-20-31(21-27(33)28-13-12-22-8-4-2-5-9-22)24(18-25(26)32)19-29-14-16-30(17-15-29)23-10-6-3-7-11-23/h2-11,18,20H,12-17,19,21H2,1H3,(H,28,33)/p+1