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

Systemtic Name: (2S)-2-(3-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: (2S)-2-(3-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: (2S)-2-(3-methylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: (2S)-2-(3-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: (2S)-2-(3-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(=CC=C1)OC(C)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

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

InChI

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