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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N-p-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=C(C=C1)CNC(=O)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-35-24-11-9-21(10-12-24)18-29-26(33)27(34)30-20-25(22-6-5-13-28-19-22)32-16-14-31(15-17-32)23-7-3-2-4-8-23/h2-13,19,25H,14-18,20H2,1H3,(H,29,33)(H,30,34)/p+1/t25-/m1/s1