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

Systemtic Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-17-6-4-5-7-21(17)30-15-14-24(3)22(27)18-8-9-19(20(16-18)26(28)29)25-12-10-23(2)11-13-25/h4-9,16H,10-15H2,1-3H3/p+1