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

Systemtic Name: 2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide CAS Name: 2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyridinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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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)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-33-25-19-30(20-26(32)27-17-21-8-4-2-5-9-21)23(16-24(25)31)18-28-12-14-29(15-13-28)22-10-6-3-7-11-22/h2-11,16,19H,12-15,17-18,20H2,1H3,(H,27,32)/p+1