2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/c1-2-31-21-6-4-3-5-20(21)26-15-13-25(14-16-26)17-22(28)24-12-11-23-18-7-9-19(10-8-18)27(29)30/h3-10,23H,2,11-17H2,1H3,(H,24,28)/p+1