N-[(2-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[(2-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N-[(2-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N-o-anisyl-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide Formula: C27H32N5O3+ MolecularWeight: 474.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-35-25-12-6-5-8-22(25)19-29-26(33)27(34)30-20-24(21-9-7-13-28-18-21)32-16-14-31(15-17-32)23-10-3-2-4-11-23/h2-13,18,24H,14-17,19-20H2,1H3,(H,29,33)(H,30,34)/p+1/t24-/m1/s1