(2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-16(22(26)23-20-15-19(25(27)28)8-9-21(20)29-2)24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1