4-nitro-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 4-nitro-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 4-nitro-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 4-nitro-N-[3-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 4-nitro-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 4-nitro-N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19(16-7-9-18(10-8-16)22(24)25)20-17-6-4-5-15(13-17)14-21-11-2-1-3-12-21/h4-10,13H,1-3,11-12,14H2,(H,20,23)/p+1