N-[2-(4-ethylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-[2-(4-ethylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[2-(4-ethylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[2-(4-ethylphenoxy)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[2-(4-ethylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: 2-(4-ethylphenoxy)ethyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O3/c1-3-17-4-7-19(8-5-17)28-15-10-22-20-16-18(6-9-21(20)25(26)27)24-13-11-23(2)12-14-24/h4-9,16,22H,3,10-15H2,1-2H3/p+1