N-(3-methylphenyl)-2-[(2R)-3-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]piperazin-2-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(2R)-3-oxidanylidene-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]piperazin-2-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[(2R)-3-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazin-2-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[(2R)-3-oxo-1-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-piperazinyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(2R)-3-oxo-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]piperazin-2-yl]-N-(m-tolyl)acetamide Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-19-6-5-7-20(16-19)27-23(31)17-22-25(33)26-10-11-30(22)24(32)18-28-12-14-29(15-13-28)21-8-3-2-4-9-21/h2-9,16,22H,10-15,17-18H2,1H3,(H,26,33)(H,27,31)/p+1/t22-/m1/s1