2-chloranyl-4-nitro-N-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]benzamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]phenyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[2-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]phenyl]benzamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]phenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]phenyl]-2-chloro-4-nitro-benzamide Formula: C26H26ClN4O4+ MolecularWeight: 493.96204

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H25ClN4O4/c27-23-16-20(31(34)35)10-11-21(23)25(32)29-24-9-5-4-8-22(24)26(33)28-19-12-14-30(15-13-19)17-18-6-2-1-3-7-18/h1-11,16,19H,12-15,17H2,(H,28,33)(H,29,32)/p+1