(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C21H26ClN4O4+ MolecularWeight: 433.90854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O4/c1-3-30-20-7-5-4-6-19(20)25-12-10-24(11-13-25)15(2)21(27)23-18-14-16(26(28)29)8-9-17(18)22/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,27)/p+1/t15-/m1/s1