3-nitro-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c26-20(14-22-21(27)17-7-4-8-19(13-17)25(28)29)23-18-9-11-24(12-10-18)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,22,27)(H,23,26)/p+1