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

Systemtic Name: (2R)-2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-4-25-11-13-26(14-12-25)18-7-5-17(6-8-18)23-16(2)22(28)24-20-15-19(27(29)30)9-10-21(20)31-3/h5-10,15-16,23H,4,11-14H2,1-3H3,(H,24,28)/p+1/t16-/m1/s1