(2R)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-nitrophenyl)propionamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-3-24-12-14-25(15-13-24)18-10-8-17(9-11-18)22-16(2)21(27)23-19-6-4-5-7-20(19)26(28)29/h4-11,16,22H,3,12-15H2,1-2H3,(H,23,27)/p+1/t16-/m1/s1