N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2,4-dinitro-aniline CAS Name: N-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amine Formula: C20H26N5O4+ MolecularWeight: 400.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-2-22-9-11-23(12-10-22)15-17-6-4-3-5-16(17)14-21-19-8-7-18(24(26)27)13-20(19)25(28)29/h3-8,13,21H,2,9-12,14-15H2,1H3/p+1