3-bromanyl-4-(3-methylbutoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide Formula: C24H31BrN3O3+ MolecularWeight: 489.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C)Br

InChI

InChI=1S/C24H30BrN3O3/c1-17(2)10-15-31-22-9-8-18(16-20(22)25)23(29)26-21-7-5-4-6-19(21)24(30)28-13-11-27(3)12-14-28/h4-9,16-17H,10-15H2,1-3H3,(H,26,29)/p+1