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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N4O3/c1-20-8-6-7-11-23(20)27-26(32)19-30-18-25(33-2)24(31)16-22(30)17-28-12-14-29(15-13-28)21-9-4-3-5-10-21/h3-11,16,18H,12-15,17,19H2,1-2H3,(H,27,32)/p+1