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

Systemtic Name: 3-bromanyl-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-ethoxy-4-methoxy-benzamide Openeye Name: 3-bromo-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-ethoxy-4-methoxy-benzamide CAS Name: 3-bromo-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-ethoxy-4-methoxybenzamide IUPAC Name: 3-bromo-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-ethoxy-4-methoxybenzamide Traditional Name: 3-bromo-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-ethoxy-4-methoxy-benzamide Formula: C21H26BrClN3O3+ MolecularWeight: 483.80644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C)Br)OC

InChI

InChI=1S/C21H25BrClN3O3/c1-4-29-19-12-14(11-16(22)20(19)28-3)21(27)24-17-13-15(23)5-6-18(17)26-9-7-25(2)8-10-26/h5-6,11-13H,4,7-10H2,1-3H3,(H,24,27)/p+1