3-bromanyl-5-ethoxy-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-bromanyl-5-ethoxy-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 3-bromo-5-ethoxy-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-bromo-5-ethoxy-4-methoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-bromo-5-ethoxy-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-bromo-5-ethoxy-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)Br)OC

InChI

InChI=1S/C21H26BrN3O3/c1-4-28-19-14-15(13-16(22)20(19)27-3)21(26)23-17-7-5-6-8-18(17)25-11-9-24(2)10-12-25/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)/p+1