3-[phenyl-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]amino]propanamide

Systemtic Name: 3-[phenyl-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]amino]propanamide Openeye Name: 3-(N-[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)C2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)C2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H27N5O2/c22-20(27)9-11-26(19-7-2-1-3-8-19)21(28)17-25-14-12-24(13-15-25)16-18-6-4-5-10-23-18/h1-8,10H,9,11-17H2,(H2,22,27)/p+1