(2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

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