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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)OC)C

InChI

InChI=1S/C27H32N4O3/c1-20-9-10-24(21(2)15-20)28-27(33)19-31-18-26(34-3)25(32)16-23(31)17-29-11-13-30(14-12-29)22-7-5-4-6-8-22/h4-10,15-16,18H,11-14,17,19H2,1-3H3,(H,28,33)/p+1