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

Systemtic Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: 2-(2-methylphenoxy)ethyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3/c1-15-4-2-3-5-19(15)26-13-10-21-17-14-16(6-7-18(17)23(24)25)22-11-8-20-9-12-22/h2-7,14,20-21H,8-13H2,1H3/p+1