(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O2/c1-16(20(25)22-15-17-6-8-18(26-2)9-7-17)23-11-13-24(14-12-23)19-5-3-4-10-21-19/h3-10,16H,11-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1