N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide Formula: C27H31N6O3+ MolecularWeight: 487.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NC[C@@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N6O3/c1-20(34)30-22-8-5-9-23(17-22)31-27(36)26(35)29-19-25(21-7-6-12-28-18-21)33-15-13-32(14-16-33)24-10-3-2-4-11-24/h2-12,17-18,25H,13-16,19H2,1H3,(H,29,35)(H,30,34)(H,31,36)/p+1/t25-/m0/s1