N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide

Systemtic Name: N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide Openeye Name: N-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]-2-nitro-benzamide CAS Name: N-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-nitrobenzamide IUPAC Name: N-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide Traditional Name: N-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]-2-nitro-benzamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-15-5-4-6-16(13-15)14-22-11-9-17(10-12-22)21-20(24)18-7-2-3-8-19(18)23(25)26/h2-8,13,17H,9-12,14H2,1H3,(H,21,24)/p+1