(2S)-2-(4-cyanophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: (2S)-2-(4-cyanophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(4-cyanophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(4-cyanophenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(4-cyanophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(4-cyanophenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N5O2/c1-15(27-18-6-3-16(13-21)4-7-18)20(26)23-17-5-8-19(22-14-17)25-11-9-24(2)10-12-25/h3-8,14-15H,9-12H2,1-2H3,(H,23,26)/p+1/t15-/m0/s1