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

Systemtic Name: (2S)-2-(4-ethanoylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(4-acetylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(4-acetylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(4-acetylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(4-acetylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-15(26)17-4-7-19(8-5-17)28-16(2)21(27)23-18-6-9-20(22-14-18)25-12-10-24(3)11-13-25/h4-9,14,16H,10-13H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1