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

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[2-(4-methoxyphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-5-(4-methyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[2-(4-methoxyphenoxy)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: 2-(4-methoxyphenoxy)ethyl-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-3-8-20(24(25)26)19(15-16)21-9-14-28-18-6-4-17(27-2)5-7-18/h3-8,15,21H,9-14H2,1-2H3/p+1