3-nitro-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]benzamide IUPAC Name: 3-nitro-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-3-nitro-benzamide Formula: C19H22N5O4+ MolecularWeight: 384.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c1-14(21-18(25)15-3-2-4-17(13-15)24(27)28)19(26)23-11-9-22(10-12-23)16-5-7-20-8-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1/t14-/m0/s1