N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-18(2)16-22(19-6-4-3-5-7-19)24-23(28)17-25-12-14-26(15-13-25)20-8-10-21(11-9-20)27(29)30/h3-11,18,22H,12-17H2,1-2H3,(H,24,28)/p+1/t22-/m1/s1