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

Systemtic Name: 3-methyl-4-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-methyl-4-nitro-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-15-13-17(7-10-19(15)23(25)26)20(24)21-18-8-5-16(6-9-18)14-22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)/p+1