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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitro-aniline CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-nitro-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-N-[2-(3-methylphenoxy)ethyl]-2-nitroaniline Traditional Name: [5-(4-benzylpiperazin-4-ium-1-yl)-2-nitro-phenyl]-[2-(3-methylphenoxy)ethyl]amine Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O3/c1-21-6-5-9-24(18-21)33-17-12-27-25-19-23(10-11-26(25)30(31)32)29-15-13-28(14-16-29)20-22-7-3-2-4-8-22/h2-11,18-19,27H,12-17,20H2,1H3/p+1