N-(2-methoxy-4-nitro-phenyl)-2-[4-(4-methylphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(4-methylphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-(4-p-toluoylpiperidin-1-ium-1-yl)acetamide Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O5/c1-15-3-5-16(6-4-15)22(27)17-9-11-24(12-10-17)14-21(26)23-19-8-7-18(25(28)29)13-20(19)30-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26)/p+1