N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3/c1-16-8-9-20(25(27)28)22(17(16)2)23-21(26)15-24-12-10-19(11-13-24)14-18-6-4-3-5-7-18/h3-9,19H,10-15H2,1-2H3,(H,23,26)/p+1