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

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: 2-(4-tert-butylphenoxy)ethyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C23H33N4O3+ MolecularWeight: 413.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)18-5-8-20(9-6-18)30-16-11-24-21-17-19(7-10-22(21)27(28)29)26-14-12-25(4)13-15-26/h5-10,17,24H,11-16H2,1-4H3/p+1