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

Systemtic Name: (2S)-2-(4-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(4-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(4-methylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(4-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(4-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4O2/c1-15-4-7-18(8-5-15)26-16(2)20(25)22-17-6-9-19(21-14-17)24-12-10-23(3)11-13-24/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1