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

Systemtic Name: 2-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 2-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 2-nitro-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 2-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 2-nitro-N-[4-(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=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c23-19(17-6-2-3-7-18(17)22(24)25)20-16-10-8-15(9-11-16)14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2,(H,20,23)/p+1