N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]-2-phenoxy-acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17(2)21(24-20(27)16-29-19-6-4-3-5-7-19)22(28)26-14-12-25(13-15-26)18-8-10-23-11-9-18/h3-11,17,21H,12-16H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1