N-[2-(3-methylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[2-(3-methylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[2-(3-methylphenoxy)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: 2-(3-methylphenoxy)ethyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C20H27N4O3+ MolecularWeight: 371.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-16-4-3-5-18(14-16)27-13-8-21-19-15-17(6-7-20(19)24(25)26)23-11-9-22(2)10-12-23/h3-7,14-15,21H,8-13H2,1-2H3/p+1