(2R)-N-(2-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-nitrophenyl)propanamide CAS Name: (2R)-N-(2-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-nitrophenyl)propionamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16(21(25)22-19-9-5-6-10-20(19)24(26)27)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,22,25)/p+1/t16-/m1/s1