(2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-(4-nitrophenoxy)propanamide

Systemtic Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-(4-nitrophenoxy)propanamide Openeye Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide CAS Name: (2R)-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-(4-nitrophenoxy)propanamide IUPAC Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide Traditional Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propionamide Formula: C21H25N4O5+ MolecularWeight: 413.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-15(30-17-9-7-16(8-10-17)25(28)29)20(26)22-19-6-4-3-5-18(19)21(27)24-13-11-23(2)12-14-24/h3-10,15H,11-14H2,1-2H3,(H,22,26)/p+1/t15-/m1/s1