N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitro-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitro-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-3-nitro-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C20H26N5O5+ MolecularWeight: 416.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CC[NH+]2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-15-12-18(22-30-15)21-19(26)14-24(11-10-23-8-3-2-4-9-23)20(27)16-6-5-7-17(13-16)25(28)29/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,21,22,26)/p+1