N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-17-3-2-4-20(15-17)29-14-9-22-21(26)16-23-10-12-24(13-11-23)18-5-7-19(8-6-18)25(27)28/h2-8,15H,9-14,16H2,1H3,(H,22,26)/p+1