(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-14(20(26)21-18-13-16(24(27)28)5-8-19(18)29-2)22-9-11-23(12-10-22)15-3-6-17(25)7-4-15/h3-8,13-14,25H,9-12H2,1-2H3,(H,21,26)/p+1/t14-/m0/s1