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

Systemtic Name: (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c1-17(29-20-9-6-18(7-10-20)23(2,3)4)22(28)25-19-8-11-21(24-16-19)27-14-12-26(5)13-15-27/h6-11,16-17H,12-15H2,1-5H3,(H,25,28)/p+1/t17-/m0/s1