N-(2-methyl-4-nitro-phenyl)-2-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-[hydroxy(diphenyl)methyl]-1-piperidin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H29N3O4/c1-20-18-24(30(33)34)12-13-25(20)28-26(31)19-29-16-14-23(15-17-29)27(32,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,23,32H,14-17,19H2,1H3,(H,28,31)/p+1